data_2kz2_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2kz2 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.354 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.89 -40.31 94.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -63.18 -39.94 96.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.669 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.423 HG21 HD12 ' A' ' 85' ' ' ILE . 96.7 mt -64.43 -44.08 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.16 -45.02 96.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.632 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.24 -41.05 90.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.74 -39.2 70.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.341 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.97 -45.57 82.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -62.39 -45.26 93.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.582 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.21 -42.4 90.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.359 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.76 -24.39 61.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 47.6 t0 -92.12 60.8 3.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.241 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -59.58 -37.1 77.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -80.32 -2.79 46.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.631 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 56.72 21.48 36.33 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.432 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 52.1 p-10 -70.54 -17.25 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.48 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 78.32 22.44 67.78 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 84.9 m-85 -143.41 147.18 34.21 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.579 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.441 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 19.2 mm -102.68 114.71 42.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.969 0.414 . . . . 0.0 110.569 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.0 m -96.61 174.47 6.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.435 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.63 -47.88 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.55 -48.89 68.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.323 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -70.98 -35.95 72.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.359 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.43 -33.64 76.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.126 0.489 . . . . 0.0 110.409 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.2 mtp-105 -70.42 -33.01 70.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.602 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.606 ' CE1' HD22 ' A' ' 111' ' ' ASN . 2.9 t-80 -55.37 -41.52 72.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.119 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.35 -45.26 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.728 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.7 mmm -64.94 -43.48 92.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.615 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.5 m -61.63 -41.1 97.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.189 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.606 HD22 ' CE1' ' A' ' 107' ' ' HIS . 89.4 m-20 -60.29 -37.91 82.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.44 -12.38 61.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.948 0.404 . . . . 0.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.94 -3.74 62.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -82.54 130.53 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.417 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -122.55 115.61 22.47 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.602 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.7 mt -111.71 156.1 22.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.5 p -76.53 169.99 17.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.457 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.29 -41.64 99.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.78 -37.02 81.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.86 -41.23 97.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 56.5 t -62.1 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.473 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -58.67 -49.11 78.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.32 -38.59 78.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.3 ttp -61.4 -47.4 85.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.5 mt -63.55 -45.02 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.761 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -60.93 -44.38 97.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.43 -35.08 70.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.759 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.85 -30.34 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.591 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 27.9 t70 -72.31 112.4 8.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.379 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 130' ' ' ILE . 67.8 mt -68.54 -43.23 83.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 20.5 p-10 -80.91 2.6 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.746 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.561 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 42.05 31.25 0.83 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.591 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.6 p-10 -83.94 -0.89 53.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.371 . . . . 0.0 110.465 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.72 -7.94 31.04 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 100' ' ' ILE . 46.4 tp60 -133.31 146.92 51.79 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.022 0.439 . . . . 0.0 110.422 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.4 t -97.75 124.6 50.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -91.19 164.35 13.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.39 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -59.11 -49.8 76.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.33 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -59.57 -37.39 78.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.408 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -75.02 -37.02 61.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.588 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 61.4 t80 -60.48 -50.63 72.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.6 t -58.29 -46.3 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.171 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -65.31 -44.31 88.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.57 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.6 ttm -54.22 -31.97 54.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.298 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 28.4 mtt -92.73 -32.31 14.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.96 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.45 ' O ' ' CG2' ' A' ' 146' ' ' THR . 91.3 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.68 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.71 0.291 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.43 -41.21 93.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.35 -35.4 80.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.04 -44.96 99.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -62.88 -46.61 87.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.529 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -67.62 -42.23 82.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.76 68.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.082 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -58.75 -46.37 87.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.454 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -60.44 -44.64 95.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.708 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.27 -42.93 95.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.301 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.9 -26.38 62.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.34 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -88.95 67.4 8.16 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -57.48 -36.68 71.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 97' ' ' ASN . 13.8 m-20 -79.74 -3.39 47.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.233 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.59 20.95 0.69 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 95' ' ' ASP . 37.8 p-10 -77.46 -11.38 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.617 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.21 19.77 56.49 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.516 ' CE1' ' ND2' ' A' ' 137' ' ' ASN . 81.6 m-85 -142.32 146.55 35.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.337 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.1 mt -109.72 112.55 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.256 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 p -88.45 178.54 6.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.564 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.62 -44.36 89.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.92 77.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.358 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -68.51 -39.6 81.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.417 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 tp -62.62 -28.6 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -68.79 -40.6 79.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.81 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.46 ' O ' ' OG1' ' A' ' 110' ' ' THR . 6.5 m-70 -55.75 -41.81 74.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.976 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.0 t -66.1 -44.49 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.379 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 50.4 ttp -63.81 -42.74 97.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 20.5 p -56.37 -33.99 66.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.277 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 63.1 t-20 -65.2 -35.94 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.309 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.73 -32.31 70.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.49 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.54 25.22 12.34 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -106.12 137.5 43.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.83 0.348 . . . . 0.0 110.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -108.67 107.8 18.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.776 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.2 mp -113.7 151.05 32.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.015 0.436 . . . . 0.0 110.496 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.0 p -76.64 164.91 25.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -62.77 -39.58 94.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.96 -40.57 91.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.573 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -60.63 -44.05 96.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.754 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.9 -44.71 99.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.89 -43.98 91.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.72 -36.72 84.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.654 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 40.0 mtt -62.2 -40.79 97.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.681 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 125' ' ' ILE . 38.6 mm -66.46 -43.37 91.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.813 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -63.46 -48.26 78.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.48 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.22 -37.57 72.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.992 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.7 -31.3 66.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.845 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 28.5 t0 -70.94 120.02 15.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.442 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.13 -45.43 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.475 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 3.1 p30 -91.26 11.81 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 43.38 47.72 6.94 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.502 ' H ' ' CG ' ' A' ' 129' ' ' ASP . 89.4 m-20 -85.91 -5.89 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.341 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.06 -7.45 75.04 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -140.63 155.29 46.58 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.066 0.46 . . . . 0.0 110.308 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.7 t -92.85 124.38 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.463 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 15.2 t-20 -97.57 171.25 8.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.482 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.421 ' N ' ' CG ' ' A' ' 137' ' ' ASN . 89.8 t80 -59.75 -48.84 80.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.37 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.47 -40.74 87.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.171 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.55 -38.19 74.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.28 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.6 -51.06 70.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.426 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.71 -45.2 86.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.91 -44.75 88.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.438 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.3 ttm -57.35 -32.54 66.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.14 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.8 mmt -90.53 -34.08 15.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.936 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.962 0.411 . . . . 0.0 110.5 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.535 0.207 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 9.8 pt-20 -61.59 -43.16 99.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 93.6 mt-10 -62.75 -42.71 99.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.625 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.69 -46.69 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.436 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -61.23 -43.89 98.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.357 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -66.84 -41.3 87.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.489 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.88 80.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.27 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -59.48 -45.32 92.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.62 -47.36 85.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.62 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.8 -43.05 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.089 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.58 -21.14 61.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.45 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.557 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 19.9 t0 -102.69 67.36 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.22 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.24 -34.7 74.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 26.1 p-10 -76.66 -1.16 26.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.565 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.46 21.21 66.47 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.63 ' C ' ' H ' ' A' ' 99' ' ' TYR . 4.0 t-20 -81.96 116.36 21.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.211 0.529 . . . . 0.0 110.022 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -52.06 -1.48 0.05 OUTLIER Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.63 ' H ' ' C ' ' A' ' 97' ' ' ASN . 88.3 m-85 -128.66 150.12 50.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.864 0.364 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.9 mm -107.95 127.32 64.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.4 m -101.92 179.25 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.443 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.83 86.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.33 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.126 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.21 -35.46 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.852 0.358 . . . . 0.0 110.169 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -36.17 79.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.205 0.526 . . . . 0.0 110.241 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -69.86 -33.04 71.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.515 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -56.05 -40.94 74.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.311 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.06 -43.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.46 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.6 mmt -62.46 -39.71 94.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.8 m -61.14 -39.01 88.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.341 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.16 -24.14 64.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.446 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 mt -71.61 -19.52 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.456 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.11 -6.88 60.06 Favored Glycine 0 N--CA 1.462 0.387 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -120.75 113.62 20.46 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 110.463 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.74 138.5 38.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.443 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.7 mt -111.53 161.89 15.7 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.338 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 p -79.34 167.02 21.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.362 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.02 -41.14 99.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.725 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -64.98 -37.47 87.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.506 ' O ' ' SD ' ' A' ' 124' ' ' MET . 66.1 mm-40 -64.0 -40.7 96.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.711 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.03 -44.95 97.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.508 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -59.93 -46.87 87.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.651 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.26 -44.7 88.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.734 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.566 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -60.86 -44.21 97.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.637 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -64.0 -44.53 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.372 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -61.13 -40.34 93.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.753 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.03 -34.48 77.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.738 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.78 -19.49 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.65 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 61.2 t0 -76.84 101.26 5.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.9 mm -66.91 -43.36 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.686 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 13.3 p-10 -88.18 8.56 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.741 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 40.96 37.4 1.38 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 42.5 p-10 -81.28 -2.84 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.596 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 78.23 -2.18 67.12 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.439 ' NE2' ' CD2' ' A' ' 99' ' ' TYR . 40.7 tt0 -133.62 149.49 51.59 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.9 t -93.7 125.96 46.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -97.91 162.16 13.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.532 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -61.18 -49.37 77.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -57.89 -38.32 75.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.37 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.13 -40.65 74.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.38 -48.8 80.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.418 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 146' ' ' THR . 74.7 t -58.16 -46.9 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -54.91 -47.21 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 89.1 mmm -60.81 -30.23 69.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.294 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 97.3 mmm -89.16 -27.82 20.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.969 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 142' ' ' VAL . 4.5 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.748 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.836 0.35 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.3 -39.44 93.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.709 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.02 -42.62 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.586 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.82 -41.56 92.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -58.34 -42.95 87.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.39 -42.87 88.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.41 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -55.06 -39.02 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.266 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -66.98 -41.03 87.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.783 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.44 -46.65 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.444 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.416 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 15.4 pt-20 -72.59 -20.88 61.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.543 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 35.0 t0 -88.14 69.27 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.437 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.67 -41.84 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.462 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 34.8 p30 -79.08 -1.98 38.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.567 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.96 20.44 4.37 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 45.9 p-10 -69.52 -20.63 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.544 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.8 17.63 59.49 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -140.34 143.84 35.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 1.6 mp -101.77 117.79 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.443 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 p -98.34 179.47 4.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.594 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.34 -47.36 78.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.593 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.29 63.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.215 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 33.9 mt-10 -71.24 -35.69 71.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.323 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.92 -33.7 75.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.363 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -69.01 -36.53 77.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.424 ' O ' ' OG1' ' A' ' 110' ' ' THR . 40.3 m170 -55.3 -41.87 72.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.07 -45.58 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.553 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.595 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.47 -40.25 96.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.482 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 27.3 p -65.16 -33.26 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.508 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.6 -40.3 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.546 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 mp -80.5 -7.04 59.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.9 -3.81 86.65 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.15 123.98 23.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.396 . . . . 0.0 110.492 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -104.16 104.84 14.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.583 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.8 mt -116.63 157.06 25.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.338 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.8 p -80.77 165.12 22.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.528 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.44 -38.74 92.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.59 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.18 -40.42 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.11 -40.57 98.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.88 -44.84 99.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.07 -43.67 98.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -62.54 -40.33 96.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.2 mmm -62.34 -42.17 99.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -63.41 -44.43 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.482 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.29 -40.3 89.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.38 -32.82 72.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.95 -25.06 24.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.674 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 52.2 t0 -67.82 107.76 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.636 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.97 -44.1 85.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.737 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.46 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 13.0 p30 -92.48 8.39 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.739 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.41 42.62 4.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.512 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 38.2 p30 -84.11 -3.82 58.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.879 0.371 . . . . 0.0 110.568 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.425 ' O ' ' NE2' ' A' ' 135' ' ' GLN . . . 82.06 -2.18 84.75 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.468 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 98.4 mm-40 -134.94 152.12 51.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 110.553 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 74.6 t -100.46 124.39 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.518 ' ND2' ' OE1' ' A' ' 140' ' ' GLU . 6.2 p30 -97.87 179.1 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -60.13 -47.33 86.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.64 -39.15 90.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.518 ' OE1' ' ND2' ' A' ' 137' ' ' ASN . 71.7 mt-10 -72.39 -28.65 63.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.543 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -73.71 -52.28 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.2 t -57.05 -49.48 79.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.377 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -66.43 -40.09 89.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.914 0.388 . . . . 0.0 110.653 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.467 ' SD ' ' C ' ' A' ' 144' ' ' MET . 11.7 tmm? -63.46 -39.62 94.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.572 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.3 ttp -67.92 -31.31 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.668 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.676 0.274 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -59.56 -43.4 93.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.91 -33.09 72.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.648 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.5 -44.95 96.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 -62.25 -43.65 98.36 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.434 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -67.03 -42.14 85.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.333 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.64 79.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.323 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.48 -46.74 86.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.33 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.7 -46.21 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.563 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.83 -42.17 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.343 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -71.16 -23.26 62.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.361 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.489 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 31.4 t0 -88.34 73.78 8.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.294 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -61.11 -41.36 96.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 29.0 p-10 -80.75 -1.57 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.524 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.88 20.69 6.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.3 p-10 -66.39 -25.95 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.515 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 89.74 19.94 45.9 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -143.96 147.49 34.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 110.557 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mm -103.28 117.03 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.39 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.7 p -98.31 178.96 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.447 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.67 84.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.513 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -52.39 -46.85 66.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.102 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -70.48 -35.43 73.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.984 0.421 . . . . 0.0 110.447 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp -62.64 -32.77 73.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -71.02 -38.31 72.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.425 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.471 ' O ' ' OG1' ' A' ' 110' ' ' THR . 27.9 m170 -56.38 -41.55 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.239 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.36 -45.24 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.409 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.0 mmt -64.82 -39.92 94.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.499 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 21.7 p -59.9 -32.23 70.55 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.436 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 54.0 t-20 -64.02 -39.93 95.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.259 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.3 mp -75.99 -9.68 58.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.4 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.14 1.11 76.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -79.73 128.81 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.673 0.273 . . . . 0.0 110.29 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -117.01 111.85 20.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.439 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 87.2 mt -116.19 159.87 21.2 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.571 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.9 m -77.87 165.8 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.472 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -64.34 -40.19 95.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.39 -38.75 88.24 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.604 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -62.98 -39.79 95.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.35 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 80.2 t -64.88 -44.24 96.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.432 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.06 -44.4 94.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.465 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.24 -37.57 85.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.646 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.3 ttt -61.68 -43.17 99.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.432 HG22 HD11 ' A' ' 125' ' ' ILE . 29.6 mm -63.31 -44.34 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -60.51 -43.0 97.54 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.281 0.363 . . . . 0.0 110.806 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.78 -34.86 76.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.637 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.33 -27.03 32.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.696 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 51.8 t0 -64.4 109.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 110.386 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.2 mt -69.61 -44.06 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.979 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.48 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 24.2 p30 -92.6 8.02 40.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.691 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.14 41.59 6.35 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 41.1 p-10 -89.57 -2.03 58.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.702 0.287 . . . . 0.0 110.332 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.44 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 78.33 -6.09 52.77 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.444 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 58.7 tp60 -135.66 150.81 49.72 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.985 0.421 . . . . 0.0 110.172 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 63.0 t -97.47 124.58 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.284 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 140' ' ' GLU . 2.3 p30 -93.92 169.71 10.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.559 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -61.23 -49.15 78.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.13 -37.65 77.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 22.4 tt0 -74.71 -36.2 62.71 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -62.6 -51.37 67.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.603 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.18 -46.17 92.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.133 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -65.57 -45.95 81.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.509 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.4 ttp -59.19 -32.16 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.349 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 mmt -92.76 -11.46 33.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.62 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 146' ' ' THR . 86.4 m . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 120.953 0.406 . . . . 0.0 110.627 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.833 0.349 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.16 -35.33 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -65.51 -32.52 74.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.26 -44.69 99.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.689 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -62.69 -46.76 86.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.867 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.33 -41.04 81.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.458 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.92 75.65 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.943 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.536 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 72.6 t80 -57.66 -44.9 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.32 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -62.69 -45.4 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.68 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.46 -41.0 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.9 -23.2 63.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.536 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 36.3 m-20 -89.48 69.95 7.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.43 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.528 ' HZ3' ' HD1' ' A' ' 107' ' ' HIS . 64.3 mttp -60.08 -41.4 92.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.571 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.502 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 33.5 p-10 -80.35 -1.72 42.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.44 21.01 25.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.502 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 50.6 p-10 -71.76 -15.07 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.98 23.23 62.01 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -143.75 146.81 33.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.096 0.474 . . . . 0.0 110.449 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.421 HG23 HD11 ' A' ' 100' ' ' ILE . 19.6 mm -102.7 114.23 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.187 0.517 . . . . 0.0 110.632 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 13.1 t -99.74 178.85 4.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.364 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.468 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -56.24 -47.82 77.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.321 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.509 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -53.58 -47.23 70.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.542 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.29 -38.02 71.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.829 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.78 -31.82 73.22 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.44 ' O ' ' OG1' ' A' ' 110' ' ' THR . 99.6 mtt180 -70.42 -39.7 74.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.023 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.528 ' HD1' ' HZ3' ' A' ' 94' ' ' LYS . 19.7 m170 -56.49 -41.12 76.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.429 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.9 -47.71 91.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.6 mtp -67.53 -35.43 79.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 11.1 m -60.25 -38.98 85.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.004 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -57.54 -35.29 70.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.115 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mp -73.31 -7.33 51.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.393 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.08 75.3 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -90.33 137.23 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.397 . . . . 0.0 110.216 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -119.04 112.53 19.68 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.383 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -116.8 158.75 23.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.423 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 12.1 p -78.56 165.98 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.523 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.99 -41.48 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.709 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.44 -37.71 87.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.739 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.423 ' H ' ' HG1' ' A' ' 117' ' ' THR . 92.0 mt-10 -63.84 -41.33 97.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.28 -45.48 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.308 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.06 -47.57 84.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.743 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' A' ' 127' ' ' GLU . 81.0 mm-40 -64.24 -37.14 86.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.27 -41.76 97.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.671 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -63.9 -43.73 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.411 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -60.98 -47.0 88.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.049 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.568 ' N ' ' OE1' ' A' ' 127' ' ' GLU . 0.3 OUTLIER -65.58 -40.66 92.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.982 179.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.18 -28.69 48.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 40.4 t0 -75.14 106.77 6.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.484 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.3 mt -73.19 -33.06 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.586 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -80.61 -1.45 42.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.43 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.94 28.16 1.68 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.491 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 27.2 p30 -87.27 -4.93 59.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.584 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.95 -3.78 84.69 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.451 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 89.0 mt-30 -138.98 153.61 48.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.17 0.509 . . . . 0.0 110.443 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.2 t -101.06 126.32 54.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.016 0.436 . . . . 0.0 110.455 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -90.89 165.59 13.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.684 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.18 -50.33 74.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.227 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -61.16 -38.91 88.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.373 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.58 -37.36 68.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.614 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -60.42 -50.64 72.8 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.403 ' O ' ' OG1' ' A' ' 146' ' ' THR . 73.7 t -57.4 -48.34 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.346 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.38 -43.93 80.17 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 110.741 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.6 tmm? -58.34 -37.12 74.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.418 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 86.3 mmm -74.27 -34.91 63.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.126 0.489 . . . . 0.0 110.448 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 2.3 p . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.541 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.74 -36.52 76.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -65.85 -34.76 78.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.56 -48.07 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.676 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -61.97 -44.97 95.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.46 -40.55 85.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.491 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.29 85.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.356 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -61.72 -46.88 87.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.547 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.57 -48.07 83.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.48 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.13 -42.31 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.19 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -71.54 -22.16 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.335 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.47 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 37.0 t0 -87.87 69.53 9.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.942 0.401 . . . . 0.0 110.168 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.462 ' NZ ' ' HD1' ' A' ' 107' ' ' HIS . 64.5 mttp -61.24 -41.37 96.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.47 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 40.0 p30 -79.39 -1.56 37.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 49.0 19.99 1.72 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.6 p-10 -70.1 -20.3 63.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.652 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 87.4 12.33 67.53 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -137.27 145.26 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.368 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.4 mm -104.04 121.78 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.619 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 12.1 t -105.22 179.34 4.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.338 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -54.13 -48.7 70.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.383 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.32 -46.6 69.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.143 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.38 -36.09 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.066 0.46 . . . . 0.0 110.366 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -32.87 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.435 0.636 . . . . 0.0 110.655 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -68.46 -38.93 81.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.666 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.462 ' HD1' ' NZ ' ' A' ' 94' ' ' LYS . 26.7 m170 -55.88 -42.91 76.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.35 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.27 -47.03 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.624 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.09 -38.35 90.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.367 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.7 m -60.77 -42.58 97.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.32 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 57.4 t-20 -59.91 -35.82 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.311 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.37 -4.17 37.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.53 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.28 6.77 85.86 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -93.21 140.43 29.54 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -120.75 115.54 23.5 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.297 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.5 mt -117.9 161.05 20.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.393 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.407 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 17.7 p -80.67 164.85 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.562 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 32.7 p-10 -63.59 -40.56 97.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.455 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 80.6 mm-40 -66.89 -43.16 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.407 ' H ' ' HG1' ' A' ' 117' ' ' THR . 92.7 mt-10 -62.84 -43.16 99.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.668 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.84 -47.16 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.376 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -61.8 -43.84 98.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.499 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.433 ' O ' ' OE2' ' A' ' 123' ' ' GLU . 1.9 tm-20 -67.89 -36.76 80.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.678 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -40.18 91.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.777 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -62.45 -42.56 96.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.391 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -57.95 -43.15 86.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.44 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.56 -43.96 88.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.23 -25.95 55.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.667 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 52.1 t0 -70.37 97.72 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.49 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.97 -41.87 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.416 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 16.5 m-20 -78.0 -0.41 27.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.313 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.46 27.67 1.31 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.536 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 34.2 p-10 -83.95 1.91 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.75 0.31 . . . . 0.0 110.431 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.471 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 75.4 -5.48 35.75 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 99.4 mm-40 -135.69 152.76 51.5 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.2 0.524 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.7 125.46 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -95.01 160.11 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.24 -49.04 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.424 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -61.9 -38.49 88.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.48 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.416 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 12.0 tt0 -71.23 -39.49 71.67 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 120.655 0.264 . . . . 0.0 110.567 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -61.27 -47.25 86.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.41 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.07 -47.21 90.78 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.272 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.13 -46.47 77.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.0 0.429 . . . . 0.0 110.572 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' A' ' 144' ' ' MET . 12.0 tmm? -57.54 -29.06 64.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -61.82 -28.01 69.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.995 -177.681 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 55.3 mp0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.527 0.203 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.5 -38.43 89.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -65.17 -39.55 93.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.33 -47.12 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.621 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.08 -46.42 87.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.41 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.34 -42.56 79.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.533 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.11 74.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.419 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 61.2 t80 -58.38 -46.12 86.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.606 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -66.28 -47.8 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.676 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.22 -42.97 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.146 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -71.57 -20.08 62.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.45 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.522 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 22.9 m-20 -94.93 75.07 3.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.266 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -59.67 -38.0 80.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.659 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 22.0 p-10 -80.64 0.14 35.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.72 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.31 33.82 82.21 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.679 ' N ' HD21 ' A' ' 97' ' ' ASN . 0.0 OUTLIER -92.15 120.44 32.75 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.556 -0.379 . . . . 0.0 110.651 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.82 -0.95 0.03 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.629 ' H ' ' C ' ' A' ' 97' ' ' ASN . 81.9 m-85 -127.9 149.77 50.16 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.424 0.631 . . . . 0.0 110.2 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -111.5 131.31 63.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.398 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 17.0 t -90.47 177.15 6.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.531 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.437 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -66.27 -46.93 75.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.704 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.51 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.074 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -68.12 -35.95 78.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.411 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.488 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.8 tt -63.38 -31.44 72.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.614 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -71.21 -34.36 70.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.613 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.475 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 48.7 m170 -55.36 -40.6 71.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.085 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.92 -45.67 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.503 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -63.01 -42.24 99.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.475 -179.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 m -62.62 -40.98 98.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.266 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 107' ' ' HIS . 76.1 m-20 -61.52 -37.46 83.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.69 -15.88 62.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.602 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.16 -14.95 39.98 Favored Glycine 0 N--CA 1.463 0.495 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 40.6 mp0 -84.1 132.37 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.393 . . . . 0.0 110.481 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -115.05 113.58 24.24 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.047 0.451 . . . . 0.0 110.321 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 116' ' ' LEU . 10.1 mp -105.24 142.67 34.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.402 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 69.5 p -75.92 171.18 14.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.438 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.17 -41.1 92.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.751 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -68.67 -40.28 80.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.752 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.402 ' H ' ' HG1' ' A' ' 117' ' ' THR . 73.4 mm-40 -62.93 -43.29 99.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.4 t -61.91 -46.07 97.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -61.36 -44.74 96.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.513 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.53 -38.89 81.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.67 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 124' ' ' MET . 1.6 tmt? -61.89 -47.81 83.32 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.3 mt -62.31 -45.01 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -60.54 -40.17 90.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.692 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -70.32 -33.82 71.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.013 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.46 -26.18 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 66.0 t0 -70.05 107.47 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.416 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.8 -44.62 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 15.9 p30 -89.7 6.02 43.28 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.04 38.53 2.6 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.548 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 47.9 p-10 -80.41 -4.51 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.478 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.61 -2.49 85.6 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.44 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 84.4 mt-30 -139.01 155.51 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 110.517 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.1 t -93.66 125.31 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.068 0.461 . . . . 0.0 110.368 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -97.67 166.09 11.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.507 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -59.87 -51.22 70.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.488 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -58.24 -39.0 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.496 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -74.86 -34.15 62.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -61.94 -51.26 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.056 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.09 -45.31 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.943 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.5 -46.89 81.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.806 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.9 ttp -63.07 -33.83 76.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.581 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.8 mmm -75.92 -38.21 57.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.626 -179.19 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.568 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 1.2 pm0 . . . . . 0 N--CA 1.46 0.04 0 CA-C-O 120.507 0.194 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.03 -36.82 80.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.743 0.306 . . . . 0.0 110.619 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 75.3 tt0 -64.52 -33.18 75.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.61 -48.39 88.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.613 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -65.95 -46.55 77.76 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.633 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.47 -47.55 69.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.707 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -56.3 -40.99 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.021 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -58.67 -47.13 85.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.35 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -64.42 -48.38 75.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.77 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -61.81 -36.46 73.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.244 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -70.92 -23.68 62.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.27 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.484 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 15.0 m-20 -97.64 79.47 2.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.819 0.342 . . . . 0.0 110.557 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -58.01 -36.74 73.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.505 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.475 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 26.2 p-10 -77.85 3.21 14.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.307 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.8 43.47 80.75 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.718 HD21 ' H ' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -108.29 128.94 55.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.357 0.598 . . . . 0.0 110.29 -179.545 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.36 20.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.706 ' H ' ' C ' ' A' ' 97' ' ' ASN . 86.0 m-85 -142.72 144.44 32.68 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.062 0.458 . . . . 0.0 110.231 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -111.5 130.5 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.457 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -101.27 176.66 5.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.488 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.7 98.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.61 66.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.954 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -68.61 -35.64 77.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.938 0.399 . . . . 0.0 110.255 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp -60.16 -30.35 69.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -68.87 -37.13 78.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.852 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -56.36 -43.0 78.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.153 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.08 -46.76 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.376 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -65.21 -38.23 89.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.333 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -58.13 -39.95 80.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.217 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -57.33 -38.38 73.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.197 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 112' ' ' LEU . 4.1 mm? -74.67 -6.08 46.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.708 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.5 0.24 89.76 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -77.49 131.85 38.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.667 0.27 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -112.15 109.78 19.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.497 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.1 mt -112.17 149.88 31.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.206 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.8 p -76.47 169.94 17.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.435 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -63.06 -40.33 97.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.25 -36.52 84.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.593 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.25 -40.85 94.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.692 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.81 -44.05 93.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.401 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.14 -44.22 92.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.33 -41.64 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.549 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.4 mmm -61.79 -44.97 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.627 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 129' ' ' ASP . 3.6 mm -63.03 -51.9 65.93 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -58.53 -44.18 89.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.747 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.33 -34.8 79.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.4 -27.05 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 46.8 t0 -63.23 110.23 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.03 0.443 . . . . 0.0 110.458 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.433 HG23 HD11 ' A' ' 130' ' ' ILE . 32.3 mm -69.03 -43.79 81.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.013 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.421 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 44.3 p30 -98.55 13.28 32.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -178.471 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.12 36.86 2.92 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.534 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 24.6 p-10 -79.1 -5.86 55.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.809 0.338 . . . . 0.0 110.711 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.65 -3.64 81.55 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.425 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 16.5 pt20 -151.36 169.17 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.44 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.6 t -102.25 122.38 54.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.473 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -91.5 164.02 13.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.417 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.85 -48.27 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.468 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.26 -41.33 84.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -75.13 -30.59 60.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.443 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.9 -49.23 78.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.223 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.43 ' O ' ' OG1' ' A' ' 146' ' ' THR . 66.4 t -57.99 -45.68 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.0 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -63.48 -47.81 80.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.479 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.6 ttp -60.51 -31.43 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 96.6 mmm -87.41 -30.76 20.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.005 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 1.4 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.547 -179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.572 0.225 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -68.96 -39.57 79.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.07 -37.69 88.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.674 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.63 -44.55 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.485 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -60.36 -45.62 92.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.359 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.37 -37.9 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.557 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.9 81.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.512 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -56.53 -45.73 80.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.318 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -65.01 -45.34 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.505 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.8 t -61.35 -40.68 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.502 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.436 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 73.2 mm-40 -70.11 -25.46 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.544 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 51.7 t0 -89.28 66.17 7.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.571 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.454 ' HZ1' ' CE1' ' A' ' 107' ' ' HIS . 98.8 mttt -61.53 -41.06 96.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.788 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.415 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 36.4 p30 -78.75 -3.41 44.19 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.69 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.1 21.3 45.75 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.722 HD21 ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -67.32 -18.1 65.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.722 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 85.59 2.6 86.95 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.592 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 85.7 m-85 -130.36 156.8 44.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.42 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 100' ' ' ILE . 21.4 mm -107.13 119.31 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.685 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.9 p -98.36 -179.57 4.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.605 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.73 93.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.48 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -53.78 -44.83 70.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 31.2 mt-10 -72.06 -36.18 69.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.84 -31.92 73.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.033 0.444 . . . . 0.0 110.795 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.436 ' HE ' ' HA ' ' A' ' 103' ' ' ALA . 86.3 mtm180 -71.29 -35.95 71.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.276 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 24.7 m170 -55.53 -40.29 71.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.445 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.93 -45.34 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.8 mmt -63.59 -38.53 91.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 43.9 p -63.59 -32.53 74.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -64.19 -40.73 96.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.85 -28.22 63.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.499 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.17 -10.64 43.74 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -70.58 138.61 51.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.492 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -120.79 112.76 19.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.62 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.4 mt -114.06 157.26 22.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.416 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.1 p -77.01 168.12 20.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.96 -39.62 95.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.713 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.1 mp0 -66.39 -36.21 82.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.643 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -64.72 -37.1 86.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.22 -45.53 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.17 -48.77 80.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.82 -41.77 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 82.6 mtp -62.41 -42.71 99.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.469 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.42 -44.75 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.805 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -63.29 -48.64 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.205 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -67.8 -33.84 75.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.827 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.78 -28.42 33.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.624 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 68.3 t0 -69.92 111.68 5.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.423 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.404 HG23 HD13 ' A' ' 130' ' ' ILE . 82.3 mt -68.3 -44.53 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.507 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 34.7 p30 -92.13 9.74 32.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.29 37.01 1.51 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.604 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 51.5 p-10 -82.89 -1.48 52.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.785 0.326 . . . . 0.0 110.496 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.9 -9.77 10.73 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.472 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 23.4 mm100 -131.92 144.85 51.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.474 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 t -100.7 120.47 50.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.522 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.59 ' H ' ' ND2' ' A' ' 137' ' ' ASN . 0.2 OUTLIER -95.32 172.13 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.22 -42.61 99.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.675 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -63.57 -45.25 91.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.701 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -75.25 -35.99 61.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.614 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -61.2 -49.93 75.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.711 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.24 -47.81 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.391 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.63 -48.97 65.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.7 ttp -57.99 -30.51 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.282 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.543 ' SD ' ' O ' ' A' ' 145' ' ' MET . 2.9 tpt -66.57 -46.39 76.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.772 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.665 -179.112 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 82' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.173 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -66.7 -44.3 82.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -61.96 -38.93 90.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.671 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 85' ' ' ILE . 96.8 mt -63.98 -43.61 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.41 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.62 -44.79 95.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.313 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.61 -39.72 84.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.84 75.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.392 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.456 ' CD2' ' CE2' ' A' ' 138' ' ' TYR . 76.8 t80 -60.78 -47.6 85.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -64.42 -46.55 82.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.49 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.0 -42.21 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.215 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -71.48 -18.41 62.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.335 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -91.16 78.35 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.379 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -60.15 -38.95 84.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.521 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.442 ' C ' ' N ' ' A' ' 97' ' ' ASN . 11.5 m-20 -78.18 -2.77 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.193 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 44.53 19.96 0.18 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 95' ' ' ASP . 43.0 p30 -74.6 -15.13 60.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.493 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.76 16.2 58.6 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -138.32 143.43 39.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 110.425 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.6 mm -105.25 115.22 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.232 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -98.43 179.99 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -47.02 79.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.616 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.23 -45.9 68.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.202 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.87 -35.21 74.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.033 0.444 . . . . 0.0 110.053 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -30.97 72.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.532 . . . . 0.0 110.546 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.39 -38.22 90.28 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.387 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.439 ' O ' ' OG1' ' A' ' 110' ' ' THR . 25.2 m-70 -55.41 -42.34 73.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.156 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.09 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.3 mtm -63.23 -41.05 99.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 32.2 p -62.66 -37.22 85.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 56.2 t-20 -64.53 -38.72 91.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.386 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.0 mt -71.61 -26.13 62.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.71 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.03 -9.73 70.19 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -73.86 141.96 46.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.691 0.282 . . . . 0.0 110.429 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -110.21 106.94 16.55 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.77 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.63 153.72 29.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.453 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.2 p -81.03 167.25 19.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.556 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.32 -38.07 88.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.604 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.01 -39.1 92.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.371 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.44 -39.17 93.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.84 -44.73 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.21 -44.23 92.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 0.0 110.421 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.23 -38.64 91.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.486 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.2 ttm -61.42 -45.91 92.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.505 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 129' ' ' ASP . 40.3 mm -63.7 -45.77 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.791 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -59.0 -43.51 91.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.867 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -63.72 -35.35 80.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.746 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.28 -22.45 26.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.69 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 42.9 t0 -71.93 104.55 3.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.279 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.419 HG21 HD12 ' A' ' 130' ' ' ILE . 32.4 mm -68.08 -43.73 85.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.848 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 17.6 p-10 -92.63 9.62 33.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.73 41.05 4.2 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 35.4 p-10 -84.46 -1.4 55.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.728 0.299 . . . . 0.0 110.55 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 80.67 -5.2 65.68 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 87.9 mt-30 -138.97 155.13 48.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.9 t -92.7 129.1 43.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -97.33 158.49 15.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.395 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CE2' ' CD2' ' A' ' 89' ' ' PHE . 1.4 t80 -57.12 -53.04 62.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.522 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 54.6 mp0 -58.03 -36.46 72.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.197 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -73.61 -36.52 65.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.97 -50.02 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.524 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.42 -45.73 89.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.142 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -65.14 -45.2 85.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.29 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.46 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.5 tmm? -58.31 -32.26 68.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.272 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.4 mmm -88.25 -30.86 19.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.684 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.394 . . . . 0.0 110.56 -179.68 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.805 0.336 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.24 -34.88 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.546 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.88 -34.13 77.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.28 -42.87 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -56.93 -44.19 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.437 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.39 -36.38 81.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.542 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.17 86.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -60.87 -44.69 96.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.496 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -58.73 -45.58 89.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.63 -41.25 90.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.296 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -72.14 -28.15 63.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.449 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -86.23 75.93 9.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.5 -41.42 94.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.481 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 97' ' ' ASN . 12.2 m-20 -78.79 -1.84 36.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.3 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.81 19.84 0.07 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 95' ' ' ASP . 30.5 p-10 -75.09 -9.85 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.499 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.87 11.8 64.92 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.26 142.76 47.44 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.987 0.423 . . . . 0.0 110.609 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 100' ' ' ILE . 78.7 mt -104.99 116.31 48.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 121.056 0.455 . . . . 0.0 110.15 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -93.66 179.85 5.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.687 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.24 95.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.439 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.14 -48.37 70.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.223 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.07 -35.89 78.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.278 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.39 -29.49 69.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.043 0.449 . . . . 0.0 110.605 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -69.67 -42.36 74.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.902 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.45 ' O ' ' OG1' ' A' ' 110' ' ' THR . 70.4 m-70 -56.0 -41.87 75.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.58 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.591 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 62.1 mtt -63.93 -40.57 96.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 25.8 p -62.09 -40.73 96.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.478 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -63.19 -39.11 93.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.07 -9.32 58.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.506 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 93.45 -16.35 60.86 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -69.92 125.29 26.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.488 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -121.71 112.97 19.06 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.0 mt -114.18 162.97 15.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.458 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.0 m -76.41 164.06 26.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.372 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -62.07 -39.79 93.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.87 -36.51 80.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.11 -42.45 93.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.689 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.63 -45.84 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.99 -43.98 91.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.513 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -67.79 -38.42 83.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mmm -62.29 -42.58 99.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.719 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.8 mt -62.86 -45.38 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -62.19 -43.6 98.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.729 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.31 -40.47 81.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.67 -27.07 45.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.795 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 39.9 t0 -70.47 106.12 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.574 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.06 -41.83 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.803 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 17.1 m-20 -79.81 1.96 24.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.546 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.62 25.52 0.32 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.532 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 33.8 p-10 -82.32 -1.31 49.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.597 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.93 -2.37 83.86 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.439 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 94.2 mt-30 -140.86 158.66 43.63 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.018 0.437 . . . . 0.0 110.491 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.84 127.98 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 121.082 0.467 . . . . 0.0 110.375 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -93.16 170.27 9.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -60.43 -50.67 72.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.437 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.32 -39.0 91.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.623 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.412 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 5.6 tt0 -69.12 -38.48 78.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.65 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.8 -47.43 85.75 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.989 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.452 ' O ' ' OG1' ' A' ' 146' ' ' THR . 77.7 t -57.57 -47.31 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.39 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.75 -43.81 83.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 83.5 mtp -59.65 -36.84 77.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.6 ttt -77.09 -28.64 54.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 3.6 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.654 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.711 0.291 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.99 -38.16 90.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.692 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -64.45 -33.1 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.439 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.82 -44.46 99.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.441 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.94 -46.83 82.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.588 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.41 -43.12 82.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.62 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.92 80.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.306 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.16 -46.3 90.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -62.73 -45.75 91.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.57 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.34 -39.2 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.331 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.01 -25.06 62.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.224 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 28.6 t0 -85.24 85.6 7.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 0.0 110.56 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -60.83 -43.51 98.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.743 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ASN . 18.7 m-20 -79.57 -1.09 36.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.206 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.04 20.25 0.08 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 95' ' ' ASP . 39.0 p-10 -78.12 -4.03 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 0.0 110.508 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.512 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 83.89 15.49 70.05 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -139.98 146.46 39.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.61 0.243 . . . . 0.0 110.377 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.439 HG21 HD13 ' A' ' 100' ' ' ILE . 31.3 mm -109.47 121.48 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.269 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -99.48 179.73 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.401 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.45 -46.75 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.363 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.66 -49.04 66.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.097 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.7 -37.72 82.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.073 0.463 . . . . 0.0 110.253 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -30.39 71.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.818 0.818 . . . . 0.0 110.357 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -73.39 -45.02 57.25 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.551 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -61.66 -45.07 95.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.239 0.542 . . . . 0.0 110.942 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 109' ' ' MET . 5.8 p -69.86 -43.21 79.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.473 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 20.6 ttm -69.83 -48.14 60.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.307 -178.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.4 t -62.51 -32.05 72.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.566 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -62.89 -28.72 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.116 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mt -78.35 -3.69 44.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.688 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.97 52.44 2.77 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -141.66 126.75 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.42 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -109.69 106.08 15.59 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.26 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.0 mt -118.22 159.12 23.87 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.287 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.433 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 7.3 p -82.12 168.26 17.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.3 p-10 -63.8 -38.98 93.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.506 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.5 mt-10 -67.07 -37.92 84.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.62 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -64.91 -43.7 91.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.69 -44.92 99.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.449 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -60.33 -45.72 92.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -66.75 -39.94 88.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.9 ttt -60.91 -46.81 89.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.68 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.07 -43.59 97.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.452 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -61.75 -44.66 96.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.449 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -71.25 -36.37 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.21 65.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.76 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 67.8 t0 -76.32 128.92 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.673 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 130' ' ' ILE . 35.6 mm -66.84 -44.69 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 17.6 p30 -90.0 13.27 15.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.82 43.23 4.11 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.422 ' OD2' ' CG ' ' A' ' 131' ' ' ASP . 94.4 m-20 -84.15 -3.6 58.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.699 0.285 . . . . 0.0 110.405 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.08 -4.9 52.76 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -135.15 148.9 49.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.809 0.338 . . . . 0.0 110.095 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.9 t -108.09 121.62 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.361 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 4.8 p-10 -96.97 -175.92 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.365 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -61.2 -46.62 89.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.23 -42.93 99.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 93.9 mt-10 -73.09 -38.19 66.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.49 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 79.6 t80 -61.18 -52.12 66.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.442 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.433 ' O ' ' OG1' ' A' ' 146' ' ' THR . 69.0 t -58.46 -47.1 89.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -66.16 -44.16 84.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.805 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.2 tmm? -56.81 -34.93 68.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.426 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 32.7 mtt -92.53 -32.57 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.722 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 3.6 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 110.431 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.583 0.23 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' A' ' 87' ' ' GLU . 96.3 mt-10 -63.37 -41.82 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.763 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -62.51 -38.6 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.737 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.36 -44.87 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -58.51 -44.73 89.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.341 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.529 ' N ' ' OE1' ' A' ' 87' ' ' GLU . 0.5 OUTLIER -67.7 -37.14 81.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 179.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.73 88.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.556 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.37 -45.03 84.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.47 -44.83 96.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.611 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.37 -40.64 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 96.6 mt-10 -70.48 -24.96 62.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.462 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.4 t0 -90.24 69.82 7.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.362 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -62.27 -42.09 99.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 37.8 p-10 -79.79 -2.44 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.471 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.41 20.77 46.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.5 p-10 -68.74 -25.04 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 87.85 20.5 50.2 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -145.92 149.55 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.458 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 1.7 mp -101.9 115.81 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.23 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 15.3 t -96.52 179.99 4.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.716 179.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -57.71 -48.36 79.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.515 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.437 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -54.93 -46.08 74.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.271 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 45.3 mt-10 -71.51 -38.62 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.04 -31.81 73.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.419 ' O ' ' OG1' ' A' ' 110' ' ' THR . 75.9 ttt-85 -69.79 -38.86 76.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.609 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 17.5 m170 -56.16 -43.16 78.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.328 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.98 -47.81 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.578 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 52.3 mtt -65.89 -40.49 91.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 8.3 m -63.25 -42.14 99.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.41 -36.12 77.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.439 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.09 -11.68 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.673 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.79 -21.43 45.01 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.47 132.03 46.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.445 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -113.52 110.83 20.91 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.093 0.473 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.8 mp -107.07 146.48 31.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.587 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.0 p -75.04 166.13 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.392 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 38.7 p-10 -64.26 -38.79 92.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.517 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.3 mt-10 -68.36 -39.13 81.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.787 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.07 -38.84 92.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.4 t -62.91 -46.02 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.377 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -60.45 -45.02 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -68.49 -38.75 81.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.637 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 124' ' ' MET . 2.0 tmt? -61.35 -45.07 95.94 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -62.86 -44.47 99.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.509 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.95 -44.95 91.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.793 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.58 -32.58 68.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.445 ' O ' ' CE ' ' A' ' 144' ' ' MET . . . -84.54 -29.54 25.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.537 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 37.3 t0 -72.54 106.93 4.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.618 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.0 mt -69.21 -40.3 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.561 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.53 -2.67 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.245 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.4 30.11 1.94 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.537 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 30.0 p-10 -86.49 -3.34 59.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.527 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.42 -3.38 85.04 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -140.11 156.12 46.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.07 0.462 . . . . 0.0 110.302 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.1 t -99.04 130.49 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.437 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 22.7 t-20 -96.53 165.21 12.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.435 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.445 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 83.7 t80 -59.39 -50.73 72.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.249 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.02 -38.41 86.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -70.34 -40.78 73.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 120.738 0.304 . . . . 0.0 110.5 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.35 -49.09 78.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.36 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 146' ' ' THR . 73.3 t -58.21 -47.76 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.178 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -65.6 -45.2 84.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.492 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.445 ' CE ' ' O ' ' A' ' 128' ' ' ALA . 39.8 ttm -61.84 -33.87 74.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.394 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.1 ttt -78.09 -35.41 49.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 3.4 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.537 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 2.7 pm0 . . . . . 0 CA--C 1.525 -0.016 0 CA-C-O 120.822 0.344 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.02 -39.0 93.11 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -66.42 -33.02 74.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.458 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.29 -49.73 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.423 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -64.63 -45.94 84.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.705 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -64.24 -47.83 78.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.565 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.419 ' O ' ' OE2' ' A' ' 92' ' ' GLU . . . -57.95 -41.48 82.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.365 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 72.7 t80 -56.76 -45.37 82.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.342 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -63.52 -43.69 96.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.929 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.17 -42.01 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.042 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -70.29 -21.24 62.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.196 -179.687 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 97.3 m-20 -91.82 69.84 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.318 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.66 -40.94 93.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 35.2 p-10 -80.17 -2.41 44.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.435 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.49 20.81 52.75 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 49.6 p-10 -69.23 -25.45 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.6 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 83.64 24.88 48.59 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -143.33 143.94 31.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.915 0.388 . . . . 0.0 110.521 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 mm -99.51 110.79 27.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.081 0.467 . . . . 0.0 110.486 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 p -96.69 178.26 5.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.529 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.9 80.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.409 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.0 -47.38 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.341 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.65 -40.27 76.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.505 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.489 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.7 tp -65.2 -31.85 73.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -69.3 -42.54 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.981 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -56.19 -41.66 75.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.295 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.22 -45.35 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.436 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.598 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.99 -39.67 95.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.6 m -63.52 -41.09 98.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.261 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -61.51 -36.96 82.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.187 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.3 mt -76.04 -3.33 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.69 28.11 30.31 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -124.39 142.39 51.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.922 0.391 . . . . 0.0 110.391 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -131.94 120.88 23.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 mt -115.28 158.24 22.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.441 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.5 m -75.4 166.31 23.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.455 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.13 -41.56 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.611 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.19 -36.73 77.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.576 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.98 -41.19 95.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.53 -45.69 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.467 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.18 -47.23 84.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.449 ' O ' ' OE2' ' A' ' 127' ' ' GLU . 80.1 mm-40 -67.14 -39.56 86.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.19 -44.19 92.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.534 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.2 mt -63.2 -43.33 98.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.381 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -60.12 -45.55 92.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.57 ' N ' ' OE1' ' A' ' 127' ' ' GLU . 0.4 OUTLIER -68.64 -34.33 75.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.746 179.786 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.22 -30.66 27.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.72 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.552 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 64.9 t0 -67.41 115.56 7.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.1 -43.79 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.463 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 13.6 p30 -89.72 5.08 47.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.568 -179.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.7 38.66 3.19 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.552 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.2 p-10 -87.35 -5.26 58.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.295 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.87 -6.74 61.25 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.503 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 77.9 mt-30 -137.11 150.39 47.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.9 t -102.83 122.22 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.96 0.409 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.52 172.2 8.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.634 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -59.48 -48.0 83.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.488 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -63.84 -43.06 97.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.689 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -68.93 -38.81 79.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.708 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -60.88 -48.28 82.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.216 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.5 t -57.37 -44.47 84.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.148 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.1 -46.58 80.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.603 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.6 ttm -58.51 -33.02 69.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.216 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 82.8 mmm -81.25 -33.01 33.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.804 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 146' ' ' THR . 88.4 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.727 0.298 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.46 -35.33 80.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.645 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.94 -36.23 82.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.475 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.0 mt -64.38 -42.84 96.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.429 ' NH1' ' OH ' ' A' ' 138' ' ' TYR . 91.5 mtt-85 -61.68 -43.33 99.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.733 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.91 -41.25 87.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.86 -40.48 72.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.058 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.13 -45.0 83.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.312 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -59.94 -45.34 92.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.394 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.2 t -58.21 -41.03 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -72.5 -21.1 61.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.449 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 36.0 t0 -100.45 66.04 1.24 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.245 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -60.56 -37.5 81.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -78.97 4.07 15.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.13 24.76 67.46 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -86.45 118.86 26.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.338 0.59 . . . . 0.0 109.834 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.2 1.26 0.03 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.67 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 64.2 m-85 -128.42 143.25 50.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.056 0.455 . . . . 0.0 110.449 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -101.57 123.48 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.434 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -96.55 179.82 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.35 91.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.632 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.82 -49.38 65.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.462 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -66.24 -37.16 84.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.316 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.46 -31.35 72.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.235 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -73.96 -31.51 63.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 0.0 110.59 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -58.26 -42.22 85.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.782 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -65.49 -40.33 87.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.434 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 61.0 mtt -68.95 -37.34 78.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.207 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.4 m -59.17 -24.81 63.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.485 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 57.2 t-20 -56.98 -30.87 64.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.75 -33.41 70.77 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 120.734 0.302 . . . . 0.0 110.459 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.54 19.29 11.42 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -129.36 113.17 14.63 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.784 0.326 . . . . 0.0 110.275 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -82.41 139.15 34.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.2 mt -108.6 163.49 13.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.369 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.8 m -77.2 164.28 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.514 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -66.23 -41.15 90.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.819 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.67 -38.23 86.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -61.09 -45.09 96.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.793 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.3 -45.32 99.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -58.3 -48.46 80.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.939 0.399 . . . . 0.0 110.701 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.58 -39.65 88.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.5 tpt -60.28 -46.16 90.8 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.59 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -63.26 -43.17 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.295 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -60.09 -42.72 95.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.005 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.47 -39.11 85.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.3 -24.85 29.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.715 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 125' ' ' ILE . 42.0 t0 -78.23 100.8 6.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.57 -26.12 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.408 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -84.18 -1.42 55.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.457 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.21 25.84 0.47 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.449 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 31.5 p30 -90.69 -5.6 55.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.628 0.251 . . . . 0.0 110.568 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.56 2.57 69.37 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.523 ' NE2' ' CG ' ' A' ' 99' ' ' TYR . 53.1 tt0 -129.25 143.05 50.71 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.229 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -98.73 122.6 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.264 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -95.42 161.99 13.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.543 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.429 ' OH ' ' NH1' ' A' ' 86' ' ' ARG . 79.2 t80 -59.42 -49.15 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.407 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 45.7 mp0 -60.89 -39.92 91.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.452 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -71.02 -37.53 72.61 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.68 0.276 . . . . 0.0 110.504 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -60.91 -48.47 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.502 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.412 ' O ' ' OG1' ' A' ' 146' ' ' THR . 75.8 t -58.34 -45.07 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.169 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -63.63 -47.56 80.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 110.733 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 61.8 ttp -58.95 -30.81 68.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.333 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 80.6 mmm -87.67 -32.95 18.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 1.3 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.524 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 56.2 mp0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.698 0.285 . . . . 0.0 110.748 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -64.42 -37.97 89.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.76 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -66.03 -36.03 82.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.463 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.5 -43.85 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.432 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -61.23 -43.51 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.558 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -65.92 -43.62 87.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.43 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.87 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.425 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.48 -46.46 90.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.367 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -63.7 -47.09 82.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.384 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.57 -41.12 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.207 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 104' ' ' GLU . 45.0 tp10 -71.23 -23.83 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.332 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -87.01 77.86 9.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.481 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -60.69 -41.89 96.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.664 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 97' ' ' ASN . 7.9 m-20 -77.65 -2.46 36.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.333 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.26 21.55 0.74 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' ASP . 27.5 p-10 -78.18 -10.34 59.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 110.606 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.63 21.52 57.87 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -142.92 146.3 33.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.382 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.437 HG23 HD11 ' A' ' 100' ' ' ILE . 30.9 mm -109.68 122.27 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.996 0.426 . . . . 0.0 110.456 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.505 ' HG ' ' N ' ' A' ' 102' ' ' ALA . 11.3 t -97.97 179.71 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.426 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.505 ' N ' ' HG ' ' A' ' 101' ' ' SER . . . -57.37 -47.08 82.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.551 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.56 -49.01 73.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.55 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' A' ' 92' ' ' GLU . 41.7 mt-10 -71.46 -40.35 70.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.06 -33.14 74.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -71.26 -34.65 70.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.462 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -55.7 -41.04 73.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.173 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.66 -45.69 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.3 mmt -61.94 -37.74 85.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.531 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 m -57.56 -39.4 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -58.45 -37.19 74.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.82 -31.35 69.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.401 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.19 30.11 5.8 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -108.93 133.23 53.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.088 0.471 . . . . 0.0 110.214 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -103.77 107.13 17.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.6 mt -110.87 145.9 37.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.1 p -77.04 169.2 18.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.407 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 39.2 p-10 -62.94 -41.41 99.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 79.4 tt0 -68.91 -40.06 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.657 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -61.71 -40.96 96.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.26 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.37 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.45 -49.1 79.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.499 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.57 -36.6 83.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.726 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 tpp -59.39 -39.55 83.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.96 0.409 . . . . 0.0 110.355 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -67.11 -42.49 88.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.63 -47.01 85.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.391 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.57 -34.09 77.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.46 -28.2 31.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.549 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 42.9 t0 -67.5 110.05 3.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.235 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.9 mt -70.43 -44.34 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.981 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.468 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 32.2 p30 -93.28 8.48 40.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.705 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.19 45.44 6.32 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.56 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 36.3 p-10 -92.62 0.28 57.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.508 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.406 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 75.48 -10.77 10.93 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.423 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 88.0 mt-30 -136.55 150.93 48.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.448 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.1 t -95.88 124.19 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.079 0.466 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -92.41 162.09 14.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.38 -49.96 75.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.343 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.48 -39.03 82.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.458 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.67 -33.84 64.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.693 0.282 . . . . 0.0 110.451 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.5 -50.0 73.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.399 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.98 -47.37 90.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.234 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.53 -47.46 72.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.009 0.433 . . . . 0.0 110.752 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 144' ' ' MET . 12.5 tmm? -60.26 -32.6 71.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.3 mmm -74.78 -39.45 61.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.458 ' O ' ' CG2' ' A' ' 146' ' ' THR . 86.2 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.616 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.575 0.226 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -63.59 -36.7 84.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.558 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -64.29 -34.43 78.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.419 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.401 HG23 HD11 ' A' ' 85' ' ' ILE . 28.1 mm -61.82 -46.51 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.498 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -63.19 -44.18 96.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.37 -44.56 78.66 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 121.182 0.515 . . . . 0.0 110.477 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.452 ' O ' ' OE1' ' A' ' 92' ' ' GLU . . . -63.06 -48.3 79.26 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.92 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -55.64 -55.22 34.63 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.521 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 91' ' ' VAL . 14.7 ptm180 -63.44 -44.62 94.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 0.0 111.093 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.446 ' N ' ' CG ' ' A' ' 90' ' ' ARG . 21.2 t -58.23 -41.37 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 92' ' ' GLU . 1.2 mp0 -71.87 -17.14 62.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.282 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 15.4 t0 -85.36 83.03 8.09 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.241 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.02 -45.13 93.79 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 120.801 0.334 . . . . 0.0 111.069 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.54 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 25.1 p-10 -81.23 -1.78 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . 0.545 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 51.11 22.74 6.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.54 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 44.4 p-10 -72.16 -11.23 60.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.532 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 81.74 23.5 57.78 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -143.05 145.16 32.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.867 0.365 . . . . 0.0 110.479 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.411 HD11 HG21 ' A' ' 100' ' ' ILE . 20.2 mm -104.17 119.68 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.317 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.528 ' HG ' ' N ' ' A' ' 102' ' ' ALA . 8.2 t -109.03 179.06 4.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.467 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . 0.528 ' N ' ' HG ' ' A' ' 101' ' ' SER . . . -54.28 -44.79 72.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.04 -48.5 70.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.208 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.25 -36.84 69.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.923 0.392 . . . . 0.0 110.449 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.36 -31.35 71.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.243 0.544 . . . . 0.0 110.008 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -65.68 -39.35 91.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -54.66 -41.55 70.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.213 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 88.9 t -66.1 -44.44 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.431 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 57.7 mtt -63.73 -41.84 97.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.35 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.7 m -60.51 -40.33 91.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.11 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -58.53 -31.75 68.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.279 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.3 -20.39 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.33 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.46 22.28 44.58 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -139.52 104.39 4.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.894 0.378 . . . . 0.0 110.45 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -82.43 140.62 33.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.324 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.1 mt -112.35 163.08 14.83 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -75.45 164.36 26.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.522 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.49 -40.71 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.4 mp0 -67.27 -38.33 84.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.688 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -61.42 -45.68 93.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.89 -45.98 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.575 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -58.65 -48.96 79.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.768 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.27 -36.84 84.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.688 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ttt -61.86 -41.08 97.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.487 . . . . 0.0 110.511 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 129' ' ' ASP . 97.1 mt -67.32 -42.85 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.988 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.87 -44.99 95.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.608 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.73 -30.63 64.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.06 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.64 -29.78 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.714 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.553 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 62.9 t0 -65.97 115.66 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.5 mt -70.18 -44.05 78.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.453 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 18.6 p30 -91.28 7.71 39.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.659 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.96 37.1 2.06 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.553 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 46.8 p-10 -85.2 -2.37 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.478 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.7 -6.41 54.05 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.502 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 42.8 tt0 -131.85 144.95 51.26 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.213 0.53 . . . . 0.0 110.511 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.72 124.24 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -98.17 170.75 8.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.701 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -61.52 -47.54 85.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.55 -40.85 88.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.67 -43.73 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.453 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -60.84 -50.59 72.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.267 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.25 -43.76 86.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.949 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -61.01 -48.9 79.67 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.472 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.9 mtm -65.18 -34.56 78.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.012 0.434 . . . . 0.0 110.533 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.25 -39.65 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 34.6 m . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.781 -179.326 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.685 0.278 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.89 -38.57 91.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.716 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.47 -32.4 73.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.758 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.74 -45.99 96.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.464 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.91 -44.9 91.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.386 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.67 -36.65 81.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.567 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.64 86.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -56.45 -44.08 80.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.26 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -55.76 -45.01 78.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.231 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' A' ' 93' ' ' ASP . 94.5 t -66.48 -42.1 89.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.419 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -72.99 13.73 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.415 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' A' ' 91' ' ' VAL . 4.3 m-20 -149.88 65.31 0.98 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.025 0.44 . . . . 0.0 110.686 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -58.53 -32.06 68.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -77.89 -1.0 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.582 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.59 30.95 79.31 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.641 ' C ' ' H ' ' A' ' 99' ' ' TYR . 3.3 t-20 -89.01 117.26 27.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.232 0.539 . . . . 0.0 110.43 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.03 -0.51 0.05 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.641 ' H ' ' C ' ' A' ' 97' ' ' ASN . 91.0 m-85 -129.82 149.88 51.36 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.9 mt -107.11 127.29 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.333 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.4 p -101.28 179.37 4.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.392 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.21 92.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.716 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.44 -47.29 66.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.141 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -70.57 -34.38 72.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.004 0.43 . . . . 0.0 109.978 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -32.57 73.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.269 0.556 . . . . 0.0 110.384 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.96 -35.48 80.81 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.729 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . 0.495 ' O ' ' OG1' ' A' ' 110' ' ' THR . 28.1 m170 -54.42 -40.35 68.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.917 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.73 -44.74 94.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.225 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -61.83 -40.4 95.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.538 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 69.1 p -63.09 -33.04 74.59 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.487 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -64.06 -41.82 97.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.555 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.06 -30.88 65.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.06 -14.7 44.39 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.71 145.05 52.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.673 0.273 . . . . 0.0 110.314 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -115.96 113.42 23.25 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.982 0.42 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.6 mt -118.22 158.85 24.37 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.211 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.461 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 46.9 p -83.5 167.68 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.61 -40.61 97.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.743 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.49 -39.24 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.461 ' H ' ' HG1' ' A' ' 117' ' ' THR . 95.5 mt-10 -64.62 -38.88 92.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.55 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.82 -46.94 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.435 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.28 -46.1 91.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.32 -36.87 82.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.579 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 37.7 tpp -61.61 -45.14 95.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.441 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.8 mt -63.33 -42.97 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.3 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -56.92 -42.1 79.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.462 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.25 -36.29 83.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.564 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.78 -24.06 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 50.1 t0 -62.0 111.42 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.358 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 mm -68.53 -44.53 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.253 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 39.6 p30 -98.2 14.36 28.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.991 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.46 35.15 1.86 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.536 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.4 p-10 -80.11 -1.52 40.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.655 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 79.28 -3.07 68.13 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.464 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 98.8 mt-30 -140.22 157.34 45.74 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 110.329 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.9 t -98.68 122.09 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.147 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -91.92 161.15 14.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.362 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -59.3 -50.22 74.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.35 -37.89 79.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.39 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.418 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 39.3 mt-10 -75.28 -32.69 61.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.93 -47.79 84.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.394 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.41 -45.93 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.001 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -65.55 -45.24 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.523 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 52.8 ttm -59.12 -32.88 70.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.301 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 17.8 tpp -86.65 -33.52 20.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 110.682 -179.59 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.725 0.298 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.38 -40.85 98.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.769 -178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -58.48 -31.32 67.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 85' ' ' ILE . 38.0 mm -59.39 -43.7 90.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 -179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.15 -46.41 90.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.63 -36.84 76.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.42 -43.83 84.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.532 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -56.79 -43.9 81.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -58.28 -45.35 88.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' A' ' 93' ' ' ASP . 94.8 t -69.64 -41.0 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.666 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 97.4 mt-10 -73.45 10.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 91' ' ' VAL . 43.8 t0 -130.87 68.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.671 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.24 -40.11 89.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.609 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 97' ' ' ASN . 5.2 m-20 -76.01 -2.73 32.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.281 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.15 19.89 0.45 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 9.9 p-10 -73.17 -12.76 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.377 . . . . 0.0 110.562 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.02 15.57 62.58 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -138.97 143.24 38.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 1.5 mp -101.08 121.13 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.3 p -98.3 179.42 4.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.623 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.08 83.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.616 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.92 -48.56 60.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.274 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 16.4 mt-10 -64.35 -35.48 81.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.473 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.437 ' O ' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.1 -31.33 72.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.463 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.447 ' O ' ' OG1' ' A' ' 110' ' ' THR . 79.4 ttt-85 -69.01 -42.01 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.027 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -56.05 -41.27 74.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.438 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.3 t -65.33 -49.02 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.646 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 84.7 mmm -65.52 -39.02 91.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 16.9 m -57.2 -37.61 72.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.446 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -59.65 -40.74 88.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.81 -8.2 54.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.4 -2.68 83.37 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -69.68 123.63 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -102.62 106.79 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.538 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.7 mt -118.28 157.12 27.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.485 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.0 p -86.34 167.69 14.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.629 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.18 -36.69 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.34 -39.89 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.55 -44.45 96.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.88 -47.02 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.478 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -58.53 -47.69 83.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.55 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.87 -38.2 85.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.0 tpt -61.7 -40.35 94.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' ASP . 4.7 mm -64.02 -44.41 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.702 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -59.13 -41.48 88.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.92 -40.02 79.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.07 -26.2 48.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.58 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 60.6 t0 -63.23 112.56 2.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.647 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 42.2 mt -69.89 -44.05 79.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 16.4 p30 -89.99 8.24 33.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.674 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.98 38.59 2.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.58 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.1 p-10 -89.71 0.61 56.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 110.622 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 83.2 -0.77 89.55 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.49 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 87.5 mt-30 -139.6 159.48 42.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 0.0 110.516 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.1 t -108.54 129.97 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.369 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -94.17 174.01 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.551 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -60.72 -49.59 76.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 139' ' ' GLU . 56.4 mp0 -61.78 -36.73 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.47 -44.63 82.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.675 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.1 -47.71 83.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.9 -46.73 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.107 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.54 -44.25 82.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.599 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.8 ttm -59.42 -38.33 80.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.46 -42.46 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' A' ' 146' ' ' THR . 49.3 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.57 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.6 m -58.97 -41.84 88.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.948 0.404 . . . . 0.0 110.561 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -126.21 121.2 32.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.601 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.686 ' CD2' ' H ' ' A' ' 60' ' ' HIS . 63.9 t60 -151.19 -134.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.459 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.686 ' H ' ' CD2' ' A' ' 59' ' ' HIS . 52.1 t-80 43.37 71.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.457 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -96.68 7.18 47.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -72.2 146.09 47.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.632 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -59.5 -44.89 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.27 170.67 3.73 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 m -90.19 -9.17 49.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.321 . . . . 0.0 110.639 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.1 t -67.47 142.94 56.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.13 -37.25 92.86 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 53.72 29.5 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.785 0.326 . . . . 0.0 110.576 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -64.63 -34.78 79.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.461 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 10.1 mp -61.14 -19.04 61.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.46 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.12 -41.52 88.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.585 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -62.7 -37.09 85.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.747 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.9 t -59.51 -40.84 88.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.679 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.32 -41.38 98.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.3 mtt -71.99 -8.29 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.607 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -110.43 -165.33 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.4 t0 61.98 95.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.3 p -140.48 148.22 40.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.59 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.27 -71.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.033 0.444 . . . . 0.0 110.701 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.7 m -147.08 145.68 29.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -52.68 -34.72 53.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.766 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.89 -40.31 94.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -63.18 -39.94 96.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.669 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.423 HG21 HD12 ' A' ' 85' ' ' ILE . 96.7 mt -64.43 -44.08 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.16 -45.02 96.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.632 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.24 -41.05 90.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.74 -39.2 70.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.341 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.97 -45.57 82.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -62.39 -45.26 93.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.582 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.21 -42.4 90.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.359 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.76 -24.39 61.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 47.6 t0 -92.12 60.8 3.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.241 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -59.58 -37.1 77.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -80.32 -2.79 46.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.631 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 56.72 21.48 36.33 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.415 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 52.1 p-10 -70.54 -17.25 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.48 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.413 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 78.32 22.44 67.78 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 84.9 m-85 -143.41 147.18 34.21 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.579 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.441 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 19.2 mm -102.68 114.71 42.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.969 0.414 . . . . 0.0 110.569 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.0 m -96.61 174.47 6.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.435 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.63 -47.88 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.55 -48.89 68.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.323 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -70.98 -35.95 72.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.359 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.1 tt -63.43 -33.64 76.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.126 0.489 . . . . 0.0 110.409 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.2 mtp-105 -70.42 -33.01 70.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.602 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.606 ' CE1' HD22 ' A' ' 111' ' ' ASN . 2.9 t-80 -55.37 -41.52 72.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.119 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.35 -45.26 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.728 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.7 mmm -64.94 -43.48 92.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.615 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.5 m -61.63 -41.1 97.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.189 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.606 HD22 ' CE1' ' A' ' 107' ' ' HIS . 89.4 m-20 -60.29 -37.91 82.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.44 -12.38 61.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.948 0.404 . . . . 0.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.94 -3.74 62.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -82.54 130.53 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.417 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -122.55 115.61 22.47 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.602 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.7 mt -111.71 156.1 22.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.5 p -76.53 169.99 17.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.457 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.29 -41.64 99.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.78 -37.02 81.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.86 -41.23 97.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 56.5 t -62.1 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.473 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -58.67 -49.11 78.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.32 -38.59 78.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.3 ttp -61.4 -47.4 85.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.405 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.5 mt -63.55 -45.02 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.761 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -60.93 -44.38 97.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.43 -35.08 70.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.759 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.85 -30.34 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.591 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 27.9 t70 -72.31 112.4 8.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.379 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.413 HG21 HD11 ' A' ' 130' ' ' ILE . 67.8 mt -68.54 -43.23 83.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 20.5 p-10 -80.91 2.6 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.746 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.561 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 42.05 31.25 0.83 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.591 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.6 p-10 -83.94 -0.89 53.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.371 . . . . 0.0 110.465 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.72 -7.94 31.04 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 100' ' ' ILE . 46.4 tp60 -133.31 146.92 51.79 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.022 0.439 . . . . 0.0 110.422 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.4 t -97.75 124.6 50.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -91.19 164.35 13.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.39 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -59.11 -49.8 76.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.33 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -59.57 -37.39 78.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.408 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -75.02 -37.02 61.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.588 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 61.4 t80 -60.48 -50.63 72.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.6 t -58.29 -46.3 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.171 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 147' ' ' ALA . 22.3 mm100 -65.31 -44.31 88.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.57 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.6 ttm -54.22 -31.97 54.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.298 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 28.4 mtt -92.73 -32.31 14.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.96 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.45 ' O ' ' CG2' ' A' ' 146' ' ' THR . 91.3 m -94.11 8.21 42.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.68 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -58.82 143.55 47.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.493 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.658 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.1 p -65.65 -18.95 65.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.811 0.339 . . . . 0.0 110.534 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -76.16 80.41 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.544 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -66.03 -40.97 91.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -155.31 20.09 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.569 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 62' ' ' HIS . 64.9 t-80 -58.66 -41.96 87.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' HIS . 99.5 m-70 -54.62 -167.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.83 136.45 45.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.455 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 65' ' ' SER . . . -170.31 -135.49 1.92 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 64' ' ' GLY . 1.4 m 57.85 158.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 0.0 110.61 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.2 m -58.97 -41.19 86.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.505 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.475 ' C ' ' H ' ' A' ' 69' ' ' ASN . . . 149.12 29.13 0.06 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.54 21.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.505 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.475 ' H ' ' C ' ' A' ' 67' ' ' GLY . 89.4 m-20 -63.6 -33.57 75.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.589 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.7 mt -62.11 -33.53 74.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.727 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -57.15 -46.3 82.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.476 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -64.96 -40.96 95.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.631 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.29 -24.74 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.748 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 77' ' ' LYS . 19.2 m -57.51 -39.43 76.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.619 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' CD1' ' N ' ' A' ' 75' ' ' LEU . 10.2 mp -63.33 -41.7 98.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.693 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.9 ttt -76.32 7.16 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 74' ' ' SER . 79.4 tttt -139.98 162.19 35.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.471 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.9 t70 68.57 140.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.552 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.421 ' OG1' ' CD1' ' A' ' 85' ' ' ILE . 3.8 t -146.1 153.61 40.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.6 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.53 -54.17 31.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.7 t -163.69 138.25 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.608 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.67 -41.27 63.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.486 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.43 -41.21 93.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.35 -35.4 80.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.421 ' CD1' ' OG1' ' A' ' 79' ' ' THR . 94.9 mt -63.04 -44.96 99.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.343 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -62.88 -46.61 87.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.529 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -67.62 -42.23 82.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.76 68.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.082 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -58.75 -46.37 87.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.454 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -60.44 -44.64 95.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.708 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.27 -42.93 95.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.301 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.9 -26.38 62.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.34 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -88.95 67.4 8.16 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -57.48 -36.68 71.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 97' ' ' ASN . 13.8 m-20 -79.74 -3.39 47.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.233 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.59 20.95 0.69 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 95' ' ' ASP . 37.8 p-10 -77.46 -11.38 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.617 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.21 19.77 56.49 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.516 ' CE1' ' ND2' ' A' ' 137' ' ' ASN . 81.6 m-85 -142.32 146.55 35.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.337 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.1 mt -109.72 112.55 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.256 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 p -88.45 178.54 6.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.564 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.62 -44.36 89.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.92 77.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.358 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -68.51 -39.6 81.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.417 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 tp -62.62 -28.6 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -68.79 -40.6 79.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.81 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.46 ' O ' ' OG1' ' A' ' 110' ' ' THR . 6.5 m-70 -55.75 -41.81 74.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.976 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.0 t -66.1 -44.49 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.379 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 50.4 ttp -63.81 -42.74 97.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 20.5 p -56.37 -33.99 66.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.277 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 63.1 t-20 -65.2 -35.94 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.309 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.73 -32.31 70.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.49 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.54 25.22 12.34 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -106.12 137.5 43.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.83 0.348 . . . . 0.0 110.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -108.67 107.8 18.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.776 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 11.2 mp -113.7 151.05 32.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.015 0.436 . . . . 0.0 110.496 179.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.0 p -76.64 164.91 25.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -62.77 -39.58 94.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.96 -40.57 91.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.573 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -60.63 -44.05 96.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.754 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.9 -44.71 99.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.89 -43.98 91.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.72 -36.72 84.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.654 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 40.0 mtt -62.2 -40.79 97.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.681 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 125' ' ' ILE . 38.6 mm -66.46 -43.37 91.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.813 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -63.46 -48.26 78.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.48 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.22 -37.57 72.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.992 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.7 -31.3 66.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.845 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 28.5 t0 -70.94 120.02 15.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.442 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.13 -45.43 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.475 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 3.1 p30 -91.26 11.81 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 43.38 47.72 6.94 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.502 ' H ' ' CG ' ' A' ' 129' ' ' ASP . 89.4 m-20 -85.91 -5.89 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.341 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.06 -7.45 75.04 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -140.63 155.29 46.58 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.066 0.46 . . . . 0.0 110.308 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.7 t -92.85 124.38 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.463 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 15.2 t-20 -97.57 171.25 8.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.482 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.421 ' N ' ' CG ' ' A' ' 137' ' ' ASN . 89.8 t80 -59.75 -48.84 80.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.37 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.47 -40.74 87.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.171 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.55 -38.19 74.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.28 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.6 -51.06 70.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.426 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.71 -45.2 86.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 147' ' ' ALA . 15.9 mm100 -64.91 -44.75 88.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.438 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.3 ttm -57.35 -32.54 66.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.14 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.8 mmt -90.53 -34.08 15.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.936 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.5 m -96.52 13.05 29.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.962 0.411 . . . . 0.0 110.5 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -57.48 142.91 42.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.43 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.487 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -141.46 149.55 41.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.827 0.346 . . . . 0.0 110.559 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -82.85 162.17 21.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -66.32 126.86 30.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.46 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -100.49 126.74 46.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -56.97 -78.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.516 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -174.78 76.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.597 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -67.62 -44.59 77.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' SER . . . -56.68 -68.04 1.9 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p 43.28 20.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.664 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' GLY . 26.8 m -71.69 148.14 46.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.394 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.97 99.54 0.14 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.406 ' CG ' ' H ' ' A' ' 69' ' ' ASN . 34.8 tt0 -173.38 -135.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.388 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.406 ' H ' ' CG ' ' A' ' 68' ' ' GLU . 91.5 m-20 -76.18 -30.64 58.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.628 179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 10.3 mp -77.87 -9.09 58.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.471 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.432 ' O ' ' OG ' ' A' ' 74' ' ' SER . 91.1 t80 -59.47 -42.49 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.39 -45.27 91.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.567 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -64.72 -28.55 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.618 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' A' ' 71' ' ' TYR . 13.3 p -58.67 -33.49 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.511 -179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.78 -40.65 97.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.3 ttt -68.36 -14.44 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.6 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -109.35 141.28 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 32.3 p-10 -174.78 124.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.567 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 4.0 t -151.72 149.84 29.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 79' ' ' THR . 92.0 m-20 -142.69 -79.35 0.23 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.431 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.2 t -140.94 138.06 33.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.202 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -49.52 -47.48 48.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.545 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 9.8 pt-20 -61.59 -43.16 99.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 93.6 mt-10 -62.75 -42.71 99.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.625 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.69 -46.69 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.436 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -61.23 -43.89 98.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.357 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -66.84 -41.3 87.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.489 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.88 80.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.27 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -59.48 -45.32 92.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.62 -47.36 85.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.62 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.8 -43.05 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.089 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.58 -21.14 61.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.45 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.557 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 19.9 t0 -102.69 67.36 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.22 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.24 -34.7 74.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.46 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 26.1 p-10 -76.66 -1.16 26.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.565 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.46 21.21 66.47 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.63 ' C ' ' H ' ' A' ' 99' ' ' TYR . 4.0 t-20 -81.96 116.36 21.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.211 0.529 . . . . 0.0 110.022 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -52.06 -1.48 0.05 OUTLIER Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.63 ' H ' ' C ' ' A' ' 97' ' ' ASN . 88.3 m-85 -128.66 150.12 50.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.864 0.364 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.9 mm -107.95 127.32 64.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.4 m -101.92 179.25 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.443 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.83 86.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.33 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.126 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.21 -35.46 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.852 0.358 . . . . 0.0 110.169 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.47 -36.17 79.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.205 0.526 . . . . 0.0 110.241 -179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -69.86 -33.04 71.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.515 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -56.05 -40.94 74.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.311 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.06 -43.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.46 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.6 mmt -62.46 -39.71 94.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.8 m -61.14 -39.01 88.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.341 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.16 -24.14 64.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.446 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 mt -71.61 -19.52 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.456 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.11 -6.88 60.06 Favored Glycine 0 N--CA 1.462 0.387 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -120.75 113.62 20.46 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 110.463 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.74 138.5 38.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.443 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.7 mt -111.53 161.89 15.7 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.338 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 p -79.34 167.02 21.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.362 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.02 -41.14 99.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.725 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -64.98 -37.47 87.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.506 ' O ' ' SD ' ' A' ' 124' ' ' MET . 66.1 mm-40 -64.0 -40.7 96.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.711 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.03 -44.95 97.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.508 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -59.93 -46.87 87.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.651 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.26 -44.7 88.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.734 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.566 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -60.86 -44.21 97.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.637 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -64.0 -44.53 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.372 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -61.13 -40.34 93.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.753 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.03 -34.48 77.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.738 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.78 -19.49 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.65 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 61.2 t0 -76.84 101.26 5.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.9 mm -66.91 -43.36 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.686 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 13.3 p-10 -88.18 8.56 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.741 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 40.96 37.4 1.38 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 42.5 p-10 -81.28 -2.84 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.596 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 78.23 -2.18 67.12 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.439 ' NE2' ' CD2' ' A' ' 99' ' ' TYR . 40.7 tt0 -133.62 149.49 51.59 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.9 t -93.7 125.96 46.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -97.91 162.16 13.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.532 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -61.18 -49.37 77.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -57.89 -38.32 75.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.37 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.13 -40.65 74.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.38 -48.8 80.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.418 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 146' ' ' THR . 74.7 t -58.16 -46.9 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 147' ' ' ALA . 57.3 tt0 -54.91 -47.21 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 89.1 mmm -60.81 -30.23 69.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.294 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 97.3 mmm -89.16 -27.82 20.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.969 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 142' ' ' VAL . 4.5 p -98.77 2.24 46.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.748 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.75 123.09 13.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.34 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.684 -179.709 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.3 t -61.62 -42.14 98.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.335 . . . . 0.0 110.521 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -90.03 129.43 36.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.566 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -106.59 120.81 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -68.47 -40.32 81.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.597 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -68.67 137.58 54.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -115.83 150.85 36.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.534 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 56.03 -146.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.529 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.79 25.52 64.65 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m 61.24 69.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.565 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.8 p -157.36 166.12 33.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 69' ' ' ASN . . . 83.11 -172.95 51.8 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 62.48 -68.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.556 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 67' ' ' GLY . 19.6 p30 -62.06 -31.87 72.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.516 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.0 mt -63.62 -39.67 94.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.454 ' O ' ' OG ' ' A' ' 74' ' ' SER . 90.4 t80 -59.54 -48.87 79.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.34 -44.53 96.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.604 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -65.73 -23.19 66.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.589 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 71' ' ' TYR . 19.9 p -57.85 -41.11 81.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.614 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.9 mt -65.08 -40.65 94.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.546 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.7 mtt -85.17 7.74 20.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.619 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.76 133.31 55.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -84.71 170.45 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.455 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.1 p -82.81 169.08 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.597 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.29 -43.4 96.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.499 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.7 t -83.29 53.36 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.49 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.11 -27.69 69.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.543 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.3 -39.44 93.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.709 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.02 -42.62 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.586 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.82 -41.56 92.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -58.34 -42.95 87.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.39 -42.87 88.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.41 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -55.06 -39.02 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.266 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -66.98 -41.03 87.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.783 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.44 -46.65 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.444 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.416 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 15.4 pt-20 -72.59 -20.88 61.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.543 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -88.14 69.27 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.437 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.67 -41.84 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.462 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 34.8 p30 -79.08 -1.98 38.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.567 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.96 20.44 4.37 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 45.9 p-10 -69.52 -20.63 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.544 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.8 17.63 59.49 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.3 m-85 -140.34 143.84 35.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.435 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 1.6 mp -101.77 117.79 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.443 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 p -98.34 179.47 4.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.594 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.34 -47.36 78.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.593 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.29 63.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.215 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 33.9 mt-10 -71.24 -35.69 71.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.323 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.432 ' O ' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.92 -33.7 75.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.363 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -69.01 -36.53 77.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.424 ' O ' ' OG1' ' A' ' 110' ' ' THR . 40.3 m170 -55.3 -41.87 72.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 -179.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.07 -45.58 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.553 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.595 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.47 -40.25 96.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.482 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 27.3 p -65.16 -33.26 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.508 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.6 -40.3 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.546 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 9.6 mp -80.5 -7.04 59.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.9 -3.81 86.65 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.15 123.98 23.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.396 . . . . 0.0 110.492 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -104.16 104.84 14.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.583 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.8 mt -116.63 157.06 25.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.338 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.8 p -80.77 165.12 22.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.528 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.44 -38.74 92.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.59 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.18 -40.42 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.11 -40.57 98.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.88 -44.84 99.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.07 -43.67 98.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -62.54 -40.33 96.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.2 mmm -62.34 -42.17 99.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -63.41 -44.43 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.482 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.29 -40.3 89.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.38 -32.82 72.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.95 -25.06 24.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.674 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 52.2 t0 -67.82 107.76 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.636 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.97 -44.1 85.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.737 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -92.48 8.39 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.739 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.41 42.62 4.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.512 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 38.2 p30 -84.11 -3.82 58.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.879 0.371 . . . . 0.0 110.568 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.425 ' O ' ' NE2' ' A' ' 135' ' ' GLN . . . 82.06 -2.18 84.75 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 134' ' ' GLY . 98.4 mm-40 -134.94 152.12 51.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 110.553 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 74.6 t -100.46 124.39 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.518 ' ND2' ' OE1' ' A' ' 140' ' ' GLU . 6.2 p30 -97.87 179.1 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -60.13 -47.33 86.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.64 -39.15 90.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.518 ' OE1' ' ND2' ' A' ' 137' ' ' ASN . 71.7 mt-10 -72.39 -28.65 63.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.543 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -73.71 -52.28 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.2 t -57.05 -49.48 79.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.377 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -66.43 -40.09 89.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.914 0.388 . . . . 0.0 110.653 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.467 ' SD ' ' C ' ' A' ' 144' ' ' MET . 11.7 tmm? -63.46 -39.62 94.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.572 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.3 ttp -67.92 -31.31 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 20.2 m -84.28 0.31 49.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.0 142.44 58.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.585 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.2 m -69.02 144.56 54.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.437 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -78.58 140.03 38.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.53 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -87.77 121.4 30.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -155.2 158.84 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.537 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.608 ' NE2' ' CE1' ' A' ' 63' ' ' HIS . 31.7 p-80 -150.69 -29.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.5 t60 45.79 90.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.531 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.608 ' CE1' ' NE2' ' A' ' 61' ' ' HIS . 35.1 m80 -64.12 -34.36 77.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' SER . . . 84.32 30.24 28.35 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' GLY . 44.3 m -51.75 -172.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -57.6 143.01 42.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.438 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.45 -24.04 0.66 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 49.87 98.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.669 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -63.6 -36.61 84.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.536 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.44 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 10.2 mp -61.57 -37.09 82.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.364 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -57.68 -47.89 81.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.37 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -65.06 -39.7 93.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.541 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.68 -30.62 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.433 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.1 m -56.92 -37.25 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.516 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.507 ' N ' ' CD2' ' A' ' 75' ' ' LEU . 4.0 mm? -62.59 -43.46 98.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.462 ' O ' ' O ' ' A' ' 77' ' ' LYS . 51.0 mtt -86.9 -8.77 56.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.669 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 76' ' ' MET . 87.0 tttt 58.2 136.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.511 ' CG ' ' H ' ' A' ' 79' ' ' THR . 36.6 t0 -82.84 -177.66 6.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.428 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.511 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t -142.18 148.3 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -105.3 -72.72 0.7 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.528 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.2 p -83.13 101.87 11.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 56.7 mp0 -57.9 -32.72 68.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.576 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -59.56 -43.4 93.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.91 -33.09 72.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.648 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.5 -44.95 96.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 -62.25 -43.65 98.36 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.434 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -67.03 -42.14 85.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.333 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.64 79.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.323 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.48 -46.74 86.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.33 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.7 -46.21 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.563 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.83 -42.17 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.343 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -71.16 -23.26 62.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.361 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.489 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 31.4 t0 -88.34 73.78 8.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.294 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -61.11 -41.36 96.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 29.0 p-10 -80.75 -1.57 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.524 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.88 20.69 6.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.3 p-10 -66.39 -25.95 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.515 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 89.74 19.94 45.9 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -143.96 147.49 34.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 110.557 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mm -103.28 117.03 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.39 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.7 p -98.31 178.96 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.447 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.67 84.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.513 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -52.39 -46.85 66.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.102 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -70.48 -35.43 73.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.984 0.421 . . . . 0.0 110.447 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.3 tp -62.64 -32.77 73.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -71.02 -38.31 72.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.425 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.471 ' O ' ' OG1' ' A' ' 110' ' ' THR . 27.9 m170 -56.38 -41.55 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.239 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.36 -45.24 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.409 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.0 mmt -64.82 -39.92 94.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.499 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 21.7 p -59.9 -32.23 70.55 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.436 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 54.0 t-20 -64.02 -39.93 95.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.259 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.3 mp -75.99 -9.68 58.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.4 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.14 1.11 76.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -79.73 128.81 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.673 0.273 . . . . 0.0 110.29 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -117.01 111.85 20.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.439 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 87.2 mt -116.19 159.87 21.2 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.571 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.9 m -77.87 165.8 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.472 -179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -64.34 -40.19 95.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 -179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.39 -38.75 88.24 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.604 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -62.98 -39.79 95.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.35 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 80.2 t -64.88 -44.24 96.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.432 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.06 -44.4 94.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.465 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.24 -37.57 85.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.646 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.3 ttt -61.68 -43.17 99.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.432 HG22 HD11 ' A' ' 125' ' ' ILE . 29.6 mm -63.31 -44.34 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -60.51 -43.0 97.54 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.281 0.363 . . . . 0.0 110.806 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.78 -34.86 76.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.637 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.33 -27.03 32.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.696 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 51.8 t0 -64.4 109.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 110.386 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.2 mt -69.61 -44.06 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.979 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.2 p30 -92.6 8.02 40.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.691 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.14 41.59 6.35 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 41.1 p-10 -89.57 -2.03 58.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.702 0.287 . . . . 0.0 110.332 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.44 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 78.33 -6.09 52.77 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.444 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 58.7 tp60 -135.66 150.81 49.72 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.985 0.421 . . . . 0.0 110.172 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 63.0 t -97.47 124.58 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.284 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 140' ' ' GLU . 2.3 p30 -93.92 169.71 10.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.559 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -61.23 -49.15 78.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.13 -37.65 77.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 22.4 tt0 -74.71 -36.2 62.71 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -62.6 -51.37 67.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.603 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.18 -46.17 92.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.133 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -65.57 -45.95 81.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.509 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.4 ttp -59.19 -32.16 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.349 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 mmt -92.76 -11.46 33.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.62 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.431 ' O ' ' CG2' ' A' ' 146' ' ' THR . 86.4 m -112.15 7.34 19.54 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.953 0.406 . . . . 0.0 110.627 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.405 ' CB ' ' SD ' ' A' ' 76' ' ' MET . . . -60.53 141.19 56.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.414 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.1 p -69.77 -17.02 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.551 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -152.96 156.58 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.422 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -109.37 -159.48 0.68 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.497 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 54.5 t-80 53.71 37.9 27.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.619 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 83.4 t60 -153.54 -66.38 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.34 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.534 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 50.8 p-80 39.94 92.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -161.74 82.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.429 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.465 ' O ' ' OG ' ' A' ' 65' ' ' SER . . . -83.79 179.94 52.13 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.465 ' OG ' ' O ' ' A' ' 64' ' ' GLY . 5.0 p 70.24 22.71 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.608 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.4 t -62.45 -44.52 96.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.25 153.95 24.54 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -141.28 121.96 14.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.511 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -64.92 -33.82 76.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.644 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 10.4 mp -68.02 -11.43 58.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -58.56 -47.49 84.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.364 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.74 -40.51 92.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.694 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -64.36 -29.34 70.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.556 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.5 m -58.11 -34.31 70.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.539 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 75' ' ' LEU . 10.6 mp -65.12 -39.07 92.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.75 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 mtt -76.1 7.86 3.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.837 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -47.2 138.94 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.643 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -78.35 165.31 23.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 m -94.7 150.71 19.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.596 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -63.08 -41.0 99.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.466 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m -117.14 110.31 18.02 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.871 0.367 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -58.29 -32.74 68.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.16 -35.33 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -65.51 -32.52 74.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.26 -44.69 99.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.689 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -62.69 -46.76 86.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.867 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.33 -41.04 81.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.458 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.92 75.65 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.943 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.536 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 72.6 t80 -57.66 -44.9 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.32 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -62.69 -45.4 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.68 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.46 -41.0 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.9 -23.2 63.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.536 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 36.3 m-20 -89.48 69.95 7.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.43 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.528 ' HZ3' ' HD1' ' A' ' 107' ' ' HIS . 64.3 mttp -60.08 -41.4 92.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.571 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.502 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 33.5 p-10 -80.35 -1.72 42.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.44 21.01 25.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.502 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 50.6 p-10 -71.76 -15.07 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.98 23.23 62.01 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -143.75 146.81 33.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.096 0.474 . . . . 0.0 110.449 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.421 HG23 HD11 ' A' ' 100' ' ' ILE . 19.6 mm -102.7 114.23 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.187 0.517 . . . . 0.0 110.632 179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 13.1 t -99.74 178.85 4.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.364 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.468 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -56.24 -47.82 77.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.321 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.509 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -53.58 -47.23 70.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.542 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.29 -38.02 71.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.829 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.78 -31.82 73.22 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.44 ' O ' ' OG1' ' A' ' 110' ' ' THR . 99.6 mtt180 -70.42 -39.7 74.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.023 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.528 ' HD1' ' HZ3' ' A' ' 94' ' ' LYS . 19.7 m170 -56.49 -41.12 76.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.429 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.9 -47.71 91.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.6 mtp -67.53 -35.43 79.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 11.1 m -60.25 -38.98 85.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.004 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -57.54 -35.29 70.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.115 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mp -73.31 -7.33 51.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.393 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.08 75.3 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -90.33 137.23 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.397 . . . . 0.0 110.216 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -119.04 112.53 19.68 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.383 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -116.8 158.75 23.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.423 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 12.1 p -78.56 165.98 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.523 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.99 -41.48 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.709 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.44 -37.71 87.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.739 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.423 ' H ' ' HG1' ' A' ' 117' ' ' THR . 92.0 mt-10 -63.84 -41.33 97.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 75.2 t -63.28 -45.48 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.308 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.06 -47.57 84.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.743 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' A' ' 127' ' ' GLU . 81.0 mm-40 -64.24 -37.14 86.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.27 -41.76 97.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.671 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -63.9 -43.73 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.411 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -60.98 -47.0 88.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.049 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.568 ' N ' ' OE1' ' A' ' 127' ' ' GLU . 0.3 OUTLIER -65.58 -40.66 92.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.982 179.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.18 -28.69 48.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 40.4 t0 -75.14 106.77 6.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.484 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.3 mt -73.19 -33.06 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.586 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -80.61 -1.45 42.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.43 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.94 28.16 1.68 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.491 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 27.2 p30 -87.27 -4.93 59.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.584 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.95 -3.78 84.69 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.451 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 89.0 mt-30 -138.98 153.61 48.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.17 0.509 . . . . 0.0 110.443 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.2 t -101.06 126.32 54.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.016 0.436 . . . . 0.0 110.455 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -90.89 165.59 13.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.684 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.18 -50.33 74.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.227 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -61.16 -38.91 88.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.373 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.58 -37.36 68.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.614 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -60.42 -50.64 72.8 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.403 ' O ' ' OG1' ' A' ' 146' ' ' THR . 73.7 t -57.4 -48.34 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.346 -178.47 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.565 ' O ' ' N ' ' A' ' 147' ' ' ALA . 77.8 mt-30 -67.38 -43.93 80.17 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 110.741 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.6 tmm? -58.34 -37.12 74.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.418 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 86.3 mmm -74.27 -34.91 63.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.126 0.489 . . . . 0.0 110.448 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 2.3 p -93.69 -3.97 51.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -58.12 136.27 57.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.386 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.679 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p 47.3 23.39 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.621 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -136.99 130.2 31.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.521 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -160.23 14.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.507 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -71.34 127.89 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -153.61 122.42 6.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -158.73 136.92 10.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -101.01 118.96 38.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.77 103.05 2.17 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.2 p -62.85 -33.19 74.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.511 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 t -141.68 149.56 40.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.569 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.33 -7.43 67.92 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 47.71 90.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -63.45 -39.28 94.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 4.1 mm? -61.95 -43.01 99.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.856 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.441 ' O ' ' OG ' ' A' ' 74' ' ' SER . 90.1 t80 -65.6 -37.89 87.91 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.351 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -58.74 -44.12 90.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.33 -26.19 67.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.693 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.441 ' OG ' ' O ' ' A' ' 71' ' ' TYR . 19.1 p -59.7 -32.12 70.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.63 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.441 ' CD1' ' N ' ' A' ' 75' ' ' LEU . 10.0 mp -61.97 -41.99 98.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.5 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 98.5 mtp -65.0 -4.36 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 78' ' ' ASP . 20.4 ptmt -146.24 -165.95 2.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 77' ' ' LYS . 97.9 m-20 55.11 111.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.497 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -137.61 134.92 36.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.513 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.56 -50.28 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.648 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.2 t -155.58 131.35 9.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -52.06 -36.72 51.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.541 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.74 -36.52 76.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -65.85 -34.76 78.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.56 -48.07 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.676 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -61.97 -44.97 95.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.46 -40.55 85.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.491 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.29 85.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.356 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -61.72 -46.88 87.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.547 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.57 -48.07 83.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.48 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.13 -42.31 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.19 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -71.54 -22.16 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.335 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -87.87 69.53 9.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.942 0.401 . . . . 0.0 110.168 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.462 ' NZ ' ' HD1' ' A' ' 107' ' ' HIS . 64.5 mttp -61.24 -41.37 96.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 40.0 p30 -79.39 -1.56 37.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 49.0 19.99 1.72 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.6 p-10 -70.1 -20.3 63.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.652 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 87.4 12.33 67.53 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -137.27 145.26 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.368 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.4 mm -104.04 121.78 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.619 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 12.1 t -105.22 179.34 4.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.338 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -54.13 -48.7 70.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.383 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.32 -46.6 69.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.143 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.38 -36.09 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.066 0.46 . . . . 0.0 110.366 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.25 -32.87 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.435 0.636 . . . . 0.0 110.655 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -68.46 -38.93 81.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.666 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.462 ' HD1' ' NZ ' ' A' ' 94' ' ' LYS . 26.7 m170 -55.88 -42.91 76.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.35 -178.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.27 -47.03 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.624 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.09 -38.35 90.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.367 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.7 m -60.77 -42.58 97.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.32 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 57.4 t-20 -59.91 -35.82 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.311 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.37 -4.17 37.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.53 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.28 6.77 85.86 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -93.21 140.43 29.54 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -120.75 115.54 23.5 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.297 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.5 mt -117.9 161.05 20.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.393 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.407 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 17.7 p -80.67 164.85 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.562 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 32.7 p-10 -63.59 -40.56 97.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.455 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 80.6 mm-40 -66.89 -43.16 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.407 ' H ' ' HG1' ' A' ' 117' ' ' THR . 92.7 mt-10 -62.84 -43.16 99.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.668 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -61.84 -47.16 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.376 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -61.8 -43.84 98.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.499 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.433 ' O ' ' OE2' ' A' ' 123' ' ' GLU . 1.9 tm-20 -67.89 -36.76 80.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.678 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -40.18 91.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.777 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -62.45 -42.56 96.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.391 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -57.95 -43.15 86.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.44 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.56 -43.96 88.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.23 -25.95 55.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.667 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 52.1 t0 -70.37 97.72 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.49 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.97 -41.87 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.416 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 16.5 m-20 -78.0 -0.41 27.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.313 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.46 27.67 1.31 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.536 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 34.2 p-10 -83.95 1.91 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.75 0.31 . . . . 0.0 110.431 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.471 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 75.4 -5.48 35.75 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 99.4 mm-40 -135.69 152.76 51.5 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.2 0.524 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.7 125.46 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -95.01 160.11 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.24 -49.04 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.424 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -61.9 -38.49 88.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.48 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.416 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 12.0 tt0 -71.23 -39.49 71.67 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 120.655 0.264 . . . . 0.0 110.567 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -61.27 -47.25 86.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.41 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.07 -47.21 90.78 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.272 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.13 -46.47 77.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.0 0.429 . . . . 0.0 110.572 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' A' ' 144' ' ' MET . 12.0 tmm? -57.54 -29.06 64.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -61.82 -28.01 69.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.4 m -110.9 12.79 22.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.995 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.09 140.0 53.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.256 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.8 pttp . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.56 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.1 t -70.49 141.81 51.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 0.0 110.518 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -152.69 149.71 28.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -76.38 159.52 30.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.457 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -150.71 155.59 39.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.444 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.7 m80 46.65 81.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -57.77 -41.78 82.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.593 ' N ' ' HD1' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -152.39 165.61 34.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.57 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.49 167.86 0.15 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -61.2 138.46 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.604 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.4 p -81.93 -112.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.74 113.57 3.94 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.14 -38.94 89.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -63.37 -37.22 86.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.612 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.88 -35.64 78.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.5 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.55 -48.71 78.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.38 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -66.12 -41.77 90.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.699 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -65.31 -35.27 80.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.447 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 77' ' ' LYS . 42.1 t -60.5 -43.25 97.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.61 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.56 -41.85 96.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 144' ' ' MET . 5.6 ttt -80.73 -12.42 59.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 74' ' ' SER . 63.5 tttp -129.2 110.41 11.96 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.425 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -171.0 88.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.9 p -134.87 153.38 52.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.042 0.449 . . . . 0.0 110.475 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -94.03 -58.11 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.376 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 p -154.4 155.13 34.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.442 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 55.3 mp0 -50.35 -42.83 53.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.694 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.5 -38.43 89.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -65.17 -39.55 93.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.33 -47.12 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.621 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.08 -46.42 87.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.41 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.34 -42.56 79.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.533 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.11 74.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.419 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 61.2 t80 -58.38 -46.12 86.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.606 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -66.28 -47.8 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.676 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.22 -42.97 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.146 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -71.57 -20.08 62.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.45 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.522 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 22.9 m-20 -94.93 75.07 3.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.266 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -59.67 -38.0 80.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.659 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 22.0 p-10 -80.64 0.14 35.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.72 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.31 33.82 82.21 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.679 ' N ' HD21 ' A' ' 97' ' ' ASN . 0.0 OUTLIER -92.15 120.44 32.75 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.556 -0.379 . . . . 0.0 110.651 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.82 -0.95 0.03 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.629 ' H ' ' C ' ' A' ' 97' ' ' ASN . 81.9 m-85 -127.9 149.77 50.16 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.424 0.631 . . . . 0.0 110.2 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -111.5 131.31 63.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.398 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 17.0 t -90.47 177.15 6.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.531 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.437 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -66.27 -46.93 75.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.704 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.51 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.074 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -68.12 -35.95 78.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.411 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.488 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.8 tt -63.38 -31.44 72.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.614 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -71.21 -34.36 70.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.613 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.475 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 48.7 m170 -55.36 -40.6 71.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.085 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.92 -45.67 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.503 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -63.01 -42.24 99.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.475 -179.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 m -62.62 -40.98 98.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.266 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 107' ' ' HIS . 76.1 m-20 -61.52 -37.46 83.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.69 -15.88 62.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.602 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.16 -14.95 39.98 Favored Glycine 0 N--CA 1.463 0.495 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 40.6 mp0 -84.1 132.37 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.393 . . . . 0.0 110.481 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -115.05 113.58 24.24 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.047 0.451 . . . . 0.0 110.321 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.433 ' CD1' ' N ' ' A' ' 116' ' ' LEU . 10.1 mp -105.24 142.67 34.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.402 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 69.5 p -75.92 171.18 14.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.438 -179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.17 -41.1 92.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.751 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -68.67 -40.28 80.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.752 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.402 ' H ' ' HG1' ' A' ' 117' ' ' THR . 73.4 mm-40 -62.93 -43.29 99.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.4 t -61.91 -46.07 97.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -61.36 -44.74 96.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.513 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.53 -38.89 81.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.67 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 124' ' ' MET . 1.6 tmt? -61.89 -47.81 83.32 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.3 mt -62.31 -45.01 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -60.54 -40.17 90.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.692 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -70.32 -33.82 71.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.013 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.46 -26.18 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 66.0 t0 -70.05 107.47 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.416 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.8 -44.62 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -89.7 6.02 43.28 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.04 38.53 2.6 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.548 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 47.9 p-10 -80.41 -4.51 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.478 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.61 -2.49 85.6 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -139.01 155.51 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 110.517 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.1 t -93.66 125.31 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.068 0.461 . . . . 0.0 110.368 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -97.67 166.09 11.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.507 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -59.87 -51.22 70.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.488 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -58.24 -39.0 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.496 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -74.86 -34.15 62.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -61.94 -51.26 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.056 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.09 -45.31 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.943 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 147' ' ' ALA . 88.5 mt-30 -64.5 -46.89 81.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.806 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' MET . 66.9 ttp -63.07 -33.83 76.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.581 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.8 mmm -75.92 -38.21 57.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -102.44 13.8 33.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.626 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.55 139.03 50.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.362 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 65.6 tttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.631 -179.56 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.7 m -78.83 105.63 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -66.95 -39.73 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.562 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 85.9 t60 56.19 99.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.453 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -78.53 151.09 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.632 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.529 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 85.4 t60 -152.31 164.27 37.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.518 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 39.8 p-80 -152.2 164.37 37.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.417 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -109.78 131.31 55.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.12 57.4 4.62 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.7 m -60.31 -42.2 95.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.669 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.9 p -74.6 158.2 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.421 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.82 -118.92 2.73 Favored Glycine 0 N--CA 1.466 0.679 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 53.92 31.32 13.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.829 0.347 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -64.36 -29.28 70.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.51 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.59 -40.14 93.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.326 -179.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.53 -49.75 76.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.293 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -65.01 -43.74 91.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -67.03 -33.74 76.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 t -59.12 -42.01 89.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.553 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.37 -41.62 97.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.493 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.0 mtt -73.06 -8.85 57.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.49 ' NZ ' ' OD2' ' A' ' 80' ' ' ASP . 63.0 tttm -112.63 132.02 55.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.391 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -134.56 -86.58 0.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.768 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.542 ' C ' ' H ' ' A' ' 81' ' ' SER . 19.6 p -107.98 -8.05 16.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.78 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.49 ' OD2' ' NZ ' ' A' ' 77' ' ' LYS . 33.8 m-20 56.59 3.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.542 ' H ' ' C ' ' A' ' 79' ' ' THR . 3.9 t -73.48 102.14 3.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.937 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.568 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 1.2 pm0 -49.94 -45.21 51.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.595 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.03 -36.82 80.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.743 0.306 . . . . 0.0 110.619 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' OE1' ' OG1' ' A' ' 79' ' ' THR . 75.3 tt0 -64.52 -33.18 75.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.61 -48.39 88.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.613 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -65.95 -46.55 77.76 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.633 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.47 -47.55 69.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.707 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -56.3 -40.99 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.021 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.6 t80 -58.67 -47.13 85.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.35 179.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -64.42 -48.38 75.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.77 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -61.81 -36.46 73.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.244 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -70.92 -23.68 62.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.27 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.484 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 15.0 m-20 -97.64 79.47 2.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.819 0.342 . . . . 0.0 110.557 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -58.01 -36.74 73.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.505 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.475 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 26.2 p-10 -77.85 3.21 14.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.307 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.8 43.47 80.75 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.718 HD21 ' H ' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -108.29 128.94 55.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.357 0.598 . . . . 0.0 110.29 -179.545 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.36 20.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.706 ' H ' ' C ' ' A' ' 97' ' ' ASN . 86.0 m-85 -142.72 144.44 32.68 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.062 0.458 . . . . 0.0 110.231 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 93.1 mt -111.5 130.5 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.457 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -101.27 176.66 5.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.488 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.7 98.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.61 66.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.954 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -68.61 -35.64 77.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.938 0.399 . . . . 0.0 110.255 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp -60.16 -30.35 69.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -68.87 -37.13 78.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.852 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -56.36 -43.0 78.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.153 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.08 -46.76 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.376 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -65.21 -38.23 89.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.333 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -58.13 -39.95 80.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.217 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -57.33 -38.38 73.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.197 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 112' ' ' LEU . 4.1 mm? -74.67 -6.08 46.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.708 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.5 0.24 89.76 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -77.49 131.85 38.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.667 0.27 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -112.15 109.78 19.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.497 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.1 mt -112.17 149.88 31.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.206 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.8 p -76.47 169.94 17.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.435 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -63.06 -40.33 97.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.25 -36.52 84.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.593 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.25 -40.85 94.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.692 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.81 -44.05 93.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.401 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.14 -44.22 92.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.33 -41.64 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.549 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.4 mmm -61.79 -44.97 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.627 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 129' ' ' ASP . 3.6 mm -63.03 -51.9 65.93 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -58.53 -44.18 89.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.747 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.33 -34.8 79.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.4 -27.05 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 46.8 t0 -63.23 110.23 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.03 0.443 . . . . 0.0 110.458 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.433 HG23 HD11 ' A' ' 130' ' ' ILE . 32.3 mm -69.03 -43.79 81.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.013 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -98.55 13.28 32.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.12 36.86 2.92 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.534 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 24.6 p-10 -79.1 -5.86 55.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.809 0.338 . . . . 0.0 110.711 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.65 -3.64 81.55 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -151.36 169.17 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.44 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.6 t -102.25 122.38 54.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.473 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -91.5 164.02 13.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.417 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.85 -48.27 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.468 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.26 -41.33 84.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -75.13 -30.59 60.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.443 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.9 -49.23 78.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.223 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.43 ' O ' ' OG1' ' A' ' 146' ' ' THR . 66.4 t -57.99 -45.68 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.0 -179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 147' ' ' ALA . 82.1 mt-30 -63.48 -47.81 80.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.479 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.6 ttp -60.51 -31.43 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 96.6 mmm -87.41 -30.76 20.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.005 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 1.4 m -101.48 12.32 37.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.547 -179.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -58.82 142.43 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.346 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.112 -0.946 . . . . 0.0 110.567 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.3 m -63.13 -177.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.822 0.344 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -57.99 -43.45 86.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.526 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.568 ' CD2' ' H ' ' A' ' 59' ' ' HIS . 7.3 p80 -84.25 134.45 34.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -150.01 162.43 40.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.622 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -169.36 55.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -77.54 -104.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.696 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -65.37 -38.67 90.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.35 -147.33 12.58 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.4 p -155.39 161.9 40.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.916 0.388 . . . . 0.0 110.54 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.9 t -110.65 139.44 45.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.95 123.59 33.99 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -86.86 59.36 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.501 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -63.43 -37.59 87.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.536 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.439 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 10.3 mp -61.65 -37.9 85.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.442 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -57.45 -42.12 81.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.437 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -59.59 -43.91 93.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.521 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -64.21 -28.51 69.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 77' ' ' LYS . 15.5 m -59.96 -37.82 80.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.416 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.28 -39.56 94.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.594 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.9 ttt -78.03 -11.2 59.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 74' ' ' SER . 87.0 tttt -142.94 114.52 8.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.481 ' H ' ' CE ' ' A' ' 145' ' ' MET . 71.2 m-20 -123.93 -177.58 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.477 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 t -150.94 163.63 38.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.669 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 61.8 t0 58.03 38.74 26.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.65 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -158.5 13.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.511 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -48.78 -38.06 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.417 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -68.96 -39.57 79.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.07 -37.69 88.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.674 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 81.2 mt -61.63 -44.55 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.485 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -60.36 -45.62 92.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.359 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.37 -37.9 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.557 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.9 81.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.512 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -56.53 -45.73 80.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.318 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -65.01 -45.34 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.505 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.8 t -61.35 -40.68 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.502 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.436 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 73.2 mm-40 -70.11 -25.46 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.544 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 51.7 t0 -89.28 66.17 7.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.571 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.454 ' HZ1' ' CE1' ' A' ' 107' ' ' HIS . 98.8 mttt -61.53 -41.06 96.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.788 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.409 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 36.4 p30 -78.75 -3.41 44.19 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.69 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.1 21.3 45.75 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.722 HD21 ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -67.32 -18.1 65.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.722 ' N ' HD21 ' A' ' 97' ' ' ASN . . . 85.59 2.6 86.95 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.592 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 85.7 m-85 -130.36 156.8 44.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.42 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.425 HD12 HG21 ' A' ' 100' ' ' ILE . 21.4 mm -107.13 119.31 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.685 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.9 p -98.36 -179.57 4.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.605 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.73 93.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.48 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -53.78 -44.83 70.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 31.2 mt-10 -72.06 -36.18 69.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.84 -31.92 73.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.033 0.444 . . . . 0.0 110.795 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.436 ' HE ' ' HA ' ' A' ' 103' ' ' ALA . 86.3 mtm180 -71.29 -35.95 71.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.276 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 24.7 m170 -55.53 -40.29 71.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.445 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.93 -45.34 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.8 mmt -63.59 -38.53 91.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 43.9 p -63.59 -32.53 74.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -64.19 -40.73 96.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mp -71.85 -28.22 63.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.499 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.17 -10.64 43.74 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -70.58 138.61 51.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.492 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -120.79 112.76 19.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.62 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.4 mt -114.06 157.26 22.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.416 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.1 p -77.01 168.12 20.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.96 -39.62 95.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.713 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.461 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 56.1 mp0 -66.39 -36.21 82.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.643 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -64.72 -37.1 86.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.22 -45.53 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.17 -48.77 80.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.82 -41.77 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 82.6 mtp -62.41 -42.71 99.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.469 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.42 -44.75 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.805 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -63.29 -48.64 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.205 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -67.8 -33.84 75.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.827 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.78 -28.42 33.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.624 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 68.3 t0 -69.92 111.68 5.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.423 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.404 HG23 HD13 ' A' ' 130' ' ' ILE . 82.3 mt -68.3 -44.53 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 -179.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.7 p30 -92.13 9.74 32.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.29 37.01 1.51 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.604 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 51.5 p-10 -82.89 -1.48 52.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.785 0.326 . . . . 0.0 110.496 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.9 -9.77 10.73 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.414 ' H ' ' C ' ' A' ' 133' ' ' ASP . 23.4 mm100 -131.92 144.85 51.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.474 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 t -100.7 120.47 50.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.522 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.59 ' H ' ' ND2' ' A' ' 137' ' ' ASN . 0.2 OUTLIER -95.32 172.13 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.22 -42.61 99.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.675 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -63.57 -45.25 91.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.701 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -75.25 -35.99 61.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.614 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -61.2 -49.93 75.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.711 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.24 -47.81 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.391 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.63 -48.97 65.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.7 ttp -57.99 -30.51 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.282 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.543 ' SD ' ' O ' ' A' ' 145' ' ' MET . 2.9 tpt -66.57 -46.39 76.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.772 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m -97.14 7.22 47.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.665 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.89 142.77 54.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.584 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.598 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.7 t 52.51 67.93 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -80.09 130.8 35.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.465 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.618 ' HD1' ' H ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -148.91 58.23 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 179.871 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -82.49 -65.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -95.31 -0.82 52.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.52 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 66.6 m80 -67.51 120.29 13.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.448 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 96.8 m-70 -157.94 17.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.592 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.22 3.68 87.05 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.3 t 53.08 77.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 110.516 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 t -71.76 146.34 48.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.601 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.81 152.99 14.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -85.45 -17.7 35.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.732 0.301 . . . . 0.0 110.474 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.94 -38.25 90.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.019 0.438 . . . . 0.0 110.487 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.493 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -62.6 -35.09 78.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.776 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -57.73 -48.35 79.85 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.378 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -65.17 -40.91 94.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.615 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.28 -27.77 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.624 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' A' ' 70' ' ' LEU . 19.5 m -56.87 -31.83 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.578 -179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.12 -41.55 96.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.9 mmm -68.78 -7.34 33.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.708 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -105.72 -165.51 1.12 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.278 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 72.07 118.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.434 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.7 t -150.03 145.72 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.459 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -97.49 -64.36 1.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.43 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.5 t -152.85 137.68 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 110.286 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 82' ' ' GLU . 0.8 OUTLIER -53.79 -39.93 65.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.418 -179.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -66.7 -44.3 82.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -61.96 -38.93 90.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.671 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.417 HD13 HG22 ' A' ' 85' ' ' ILE . 96.8 mt -63.98 -43.61 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.41 179.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.62 -44.79 95.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.313 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.61 -39.72 84.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.84 75.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.392 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.456 ' CD2' ' CE2' ' A' ' 138' ' ' TYR . 76.8 t80 -60.78 -47.6 85.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -64.42 -46.55 82.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.49 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.0 -42.21 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.215 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -71.48 -18.41 62.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.335 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -91.16 78.35 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.379 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -60.15 -38.95 84.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.521 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.442 ' C ' ' N ' ' A' ' 97' ' ' ASN . 11.5 m-20 -78.18 -2.77 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.193 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 44.53 19.96 0.18 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 95' ' ' ASP . 43.0 p30 -74.6 -15.13 60.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.493 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.76 16.2 58.6 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -138.32 143.43 39.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 110.425 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.6 mm -105.25 115.22 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.232 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -98.43 179.99 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -47.02 79.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.616 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.23 -45.9 68.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.202 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.87 -35.21 74.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.033 0.444 . . . . 0.0 110.053 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -30.97 72.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.532 . . . . 0.0 110.546 -179.64 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.39 -38.22 90.28 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.387 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.439 ' O ' ' OG1' ' A' ' 110' ' ' THR . 25.2 m-70 -55.41 -42.34 73.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.156 -179.182 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.09 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.3 mtm -63.23 -41.05 99.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 32.2 p -62.66 -37.22 85.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 56.2 t-20 -64.53 -38.72 91.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.386 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.0 mt -71.61 -26.13 62.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.71 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.03 -9.73 70.19 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -73.86 141.96 46.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.691 0.282 . . . . 0.0 110.429 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -110.21 106.94 16.55 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.77 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.63 153.72 29.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.453 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.2 p -81.03 167.25 19.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.556 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.32 -38.07 88.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.604 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.01 -39.1 92.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.371 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.44 -39.17 93.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.84 -44.73 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.21 -44.23 92.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 0.0 110.421 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -64.23 -38.64 91.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.486 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.2 ttm -61.42 -45.91 92.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.505 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 129' ' ' ASP . 40.3 mm -63.7 -45.77 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.791 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 88.8 mtm180 -59.0 -43.51 91.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.867 -179.488 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -63.72 -35.35 80.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.746 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.28 -22.45 26.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.69 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 42.9 t0 -71.93 104.55 3.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.279 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.419 HG21 HD12 ' A' ' 130' ' ' ILE . 32.4 mm -68.08 -43.73 85.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.848 -179.455 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 17.6 p-10 -92.63 9.62 33.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.73 41.05 4.2 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 35.4 p-10 -84.46 -1.4 55.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.728 0.299 . . . . 0.0 110.55 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 80.67 -5.2 65.68 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -138.97 155.13 48.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.9 t -92.7 129.1 43.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -97.33 158.49 15.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.395 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CE2' ' CD2' ' A' ' 89' ' ' PHE . 1.4 t80 -57.12 -53.04 62.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.522 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 54.6 mp0 -58.03 -36.46 72.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.197 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -73.61 -36.52 65.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.97 -50.02 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.524 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.42 -45.73 89.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.142 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 147' ' ' ALA . 57.7 tt0 -65.14 -45.2 85.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.29 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.46 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.5 tmm? -58.31 -32.26 68.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.272 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.4 mmm -88.25 -30.86 19.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.684 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m -99.96 12.78 35.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.394 . . . . 0.0 110.56 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -60.31 142.91 54.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.455 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.636 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.0 p -63.52 -35.12 79.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.899 0.38 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 82.8 t60 49.24 70.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 61' ' ' HIS . 77.8 m80 -66.43 -41.31 89.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.62 ' CE1' ' NE2' ' A' ' 61' ' ' HIS . 22.8 t-160 54.25 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.434 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.62 ' NE2' ' CE1' ' A' ' 60' ' ' HIS . 99.3 m-70 -82.58 133.71 35.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.402 ' HD1' ' N ' ' A' ' 63' ' ' HIS . 44.2 t-80 -155.85 -78.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.402 ' N ' ' HD1' ' A' ' 62' ' ' HIS . 64.2 t-80 -80.09 127.95 32.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.93 -105.89 0.21 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 p -155.93 162.9 40.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.3 p -158.68 42.89 0.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.0 170.12 39.15 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -139.1 -95.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.196 0 O-C-N 122.7 -0.294 . . . . 0.0 110.611 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.27 -39.94 95.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.28 -32.43 73.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.219 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.21 -46.9 87.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.334 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -63.47 -40.17 96.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.63 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.55 -28.18 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.427 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.7 t -58.77 -36.14 73.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.439 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.46 -41.15 98.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.5 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 145' ' ' MET . 31.0 mmm -70.41 -1.79 11.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -82.19 145.11 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -98.76 -160.38 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.015 0.436 . . . . 0.0 110.536 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.1 p -132.18 164.49 26.21 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.561 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -62.23 -44.56 96.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.647 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 m -83.01 89.69 6.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.49 -32.42 72.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.423 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.24 -34.88 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.546 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.88 -34.13 77.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 95.3 mt -62.28 -42.87 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 -179.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -56.93 -44.19 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.437 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.39 -36.38 81.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.542 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.17 86.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -60.87 -44.69 96.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.496 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -58.73 -45.58 89.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.63 -41.25 90.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.296 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -72.14 -28.15 63.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.449 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -86.23 75.93 9.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.5 -41.42 94.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.481 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 97' ' ' ASN . 12.2 m-20 -78.79 -1.84 36.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.3 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.81 19.84 0.07 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 95' ' ' ASP . 30.5 p-10 -75.09 -9.85 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.499 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.87 11.8 64.92 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.26 142.76 47.44 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.987 0.423 . . . . 0.0 110.609 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 100' ' ' ILE . 78.7 mt -104.99 116.31 48.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 121.056 0.455 . . . . 0.0 110.15 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -93.66 179.85 5.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.687 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.24 95.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.439 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.14 -48.37 70.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.223 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.07 -35.89 78.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.278 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.39 -29.49 69.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.043 0.449 . . . . 0.0 110.605 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -69.67 -42.36 74.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.902 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.45 ' O ' ' OG1' ' A' ' 110' ' ' THR . 70.4 m-70 -56.0 -41.87 75.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.58 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.591 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 62.1 mtt -63.93 -40.57 96.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 25.8 p -62.09 -40.73 96.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.478 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -63.19 -39.11 93.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.07 -9.32 58.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.506 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 93.45 -16.35 60.86 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -69.92 125.29 26.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.488 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -121.71 112.97 19.06 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.0 mt -114.18 162.97 15.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.458 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.0 m -76.41 164.06 26.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.372 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -62.07 -39.79 93.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.788 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.87 -36.51 80.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.11 -42.45 93.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.689 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.63 -45.84 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.99 -43.98 91.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.513 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -67.79 -38.42 83.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mmm -62.29 -42.58 99.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.719 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.8 mt -62.86 -45.38 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -62.19 -43.6 98.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.729 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.31 -40.47 81.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.67 -27.07 45.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.795 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 39.9 t0 -70.47 106.12 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.574 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.06 -41.83 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.803 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 17.1 m-20 -79.81 1.96 24.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.546 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.62 25.52 0.32 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.532 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 33.8 p-10 -82.32 -1.31 49.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.597 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.93 -2.37 83.86 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.439 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 94.2 mt-30 -140.86 158.66 43.63 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.018 0.437 . . . . 0.0 110.491 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.84 127.98 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 121.082 0.467 . . . . 0.0 110.375 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -93.16 170.27 9.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -60.43 -50.67 72.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.437 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.32 -39.0 91.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.623 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.412 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 5.6 tt0 -69.12 -38.48 78.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.65 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.8 -47.43 85.75 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.989 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.452 ' O ' ' OG1' ' A' ' 146' ' ' THR . 77.7 t -57.57 -47.31 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.39 -178.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.571 ' O ' ' N ' ' A' ' 147' ' ' ALA . 96.5 mt-30 -66.75 -43.81 83.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 83.5 mtp -59.65 -36.84 77.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 76' ' ' MET . 2.6 ttt -77.09 -28.64 54.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 3.6 p -97.86 -8.82 27.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.654 -179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -64.97 140.22 58.84 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.069 0.462 . . . . 0.0 110.321 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.591 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -81.77 -4.65 56.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.721 0.296 . . . . 0.0 110.527 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.455 ' O ' ' NE2' ' A' ' 61' ' ' HIS . 78.0 m80 -68.96 138.06 54.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.27 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -113.67 -151.89 0.49 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.342 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 80.5 m80 44.91 42.78 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.455 ' NE2' ' O ' ' A' ' 58' ' ' HIS . 32.6 m170 -66.84 -42.3 86.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.571 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -88.99 125.74 35.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -91.91 110.8 22.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.21 -109.83 0.69 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.444 ' O ' ' OG ' ' A' ' 65' ' ' SER . 5.8 t 56.14 56.7 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.959 0.409 . . . . 0.0 110.527 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -88.46 2.9 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.448 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.2 18.69 48.99 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -71.93 152.98 42.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 110.597 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -63.51 -33.28 75.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.616 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.442 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 10.0 mp -59.76 -18.34 42.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.384 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.448 ' O ' ' OG ' ' A' ' 74' ' ' SER . 91.2 t80 -58.77 -46.73 86.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.55 -39.31 94.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.554 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.55 -25.37 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.553 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 71' ' ' TYR . 50.4 p -57.8 -31.91 67.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.464 -179.848 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' A' ' 75' ' ' LEU . 4.0 mm? -63.1 -42.05 99.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.775 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.3 mtp -72.76 4.12 4.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.483 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 148' ' ' LYS . 68.6 mttm -116.05 -165.09 1.01 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.211 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.1 t70 73.78 77.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.798 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 t -150.03 146.67 27.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.561 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -157.57 25.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -156.39 81.38 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.51 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -55.41 -33.08 63.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.99 -38.16 90.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.692 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -64.45 -33.1 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.439 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.82 -44.46 99.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.441 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.94 -46.83 82.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.588 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.41 -43.12 82.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.62 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.92 80.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.306 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.16 -46.3 90.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -62.73 -45.75 91.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.57 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.34 -39.2 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.331 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.01 -25.06 62.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.224 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 28.6 t0 -85.24 85.6 7.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 0.0 110.56 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -60.83 -43.51 98.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.743 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ASN . 18.7 m-20 -79.57 -1.09 36.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.206 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.04 20.25 0.08 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 95' ' ' ASP . 39.0 p-10 -78.12 -4.03 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 0.0 110.508 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.512 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 83.89 15.49 70.05 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -139.98 146.46 39.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.61 0.243 . . . . 0.0 110.377 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.439 HG21 HD13 ' A' ' 100' ' ' ILE . 31.3 mm -109.47 121.48 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.269 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -99.48 179.73 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.401 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.45 -46.75 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.363 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.66 -49.04 66.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.097 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.7 -37.72 82.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.073 0.463 . . . . 0.0 110.253 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -30.39 71.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.818 0.818 . . . . 0.0 110.357 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -73.39 -45.02 57.25 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.551 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -61.66 -45.07 95.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.239 0.542 . . . . 0.0 110.942 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.473 ' CG1' ' N ' ' A' ' 109' ' ' MET . 5.8 p -69.86 -43.21 79.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.473 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 20.6 ttm -69.83 -48.14 60.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.307 -178.727 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.4 t -62.51 -32.05 72.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.566 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -62.89 -28.72 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.116 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mt -78.35 -3.69 44.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.688 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.97 52.44 2.77 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -141.66 126.75 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.42 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -109.69 106.08 15.59 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.26 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 47.0 mt -118.22 159.12 23.87 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.287 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.433 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 7.3 p -82.12 168.26 17.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.3 p-10 -63.8 -38.98 93.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.506 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.5 mt-10 -67.07 -37.92 84.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.62 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -64.91 -43.7 91.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.69 -44.92 99.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.449 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -60.33 -45.72 92.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -66.75 -39.94 88.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.9 ttt -60.91 -46.81 89.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.68 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.07 -43.59 97.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.452 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -61.75 -44.66 96.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.449 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -71.25 -36.37 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.21 65.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.76 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 67.8 t0 -76.32 128.92 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.673 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.409 HG22 HD11 ' A' ' 130' ' ' ILE . 35.6 mm -66.84 -44.69 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 17.6 p30 -90.0 13.27 15.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.82 43.23 4.11 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.422 ' OD2' ' CG ' ' A' ' 131' ' ' ASP . 94.4 m-20 -84.15 -3.6 58.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.699 0.285 . . . . 0.0 110.405 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.08 -4.9 52.76 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -135.15 148.9 49.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.809 0.338 . . . . 0.0 110.095 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.9 t -108.09 121.62 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.361 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.51 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 4.8 p-10 -96.97 -175.92 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.365 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -61.2 -46.62 89.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.23 -42.93 99.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 93.9 mt-10 -73.09 -38.19 66.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.49 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 79.6 t80 -61.18 -52.12 66.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.442 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.433 ' O ' ' OG1' ' A' ' 146' ' ' THR . 69.0 t -58.46 -47.1 89.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 147' ' ' ALA . 22.3 mm100 -66.16 -44.16 84.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.805 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.2 tmm? -56.81 -34.93 68.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.426 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 32.7 mtt -92.53 -32.57 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.722 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 3.6 m -94.75 12.51 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 110.431 -179.707 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -60.44 144.68 50.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . 0.462 ' O ' ' NZ ' ' A' ' 77' ' ' LYS . 64.3 tttm . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.3 p -87.97 113.21 23.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.5 m80 41.07 86.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.621 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -139.9 39.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.498 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -148.04 0.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.52 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.52 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 70.9 m80 41.0 46.24 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 56.23 80.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.562 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 61' ' ' HIS . 71.6 m80 -153.15 132.09 12.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.536 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.99 -131.6 52.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.1 m -72.64 145.24 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.504 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.7 m -60.47 -41.97 95.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.96 -83.17 0.04 OUTLIER Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 55.0 mp0 -138.61 155.41 48.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.429 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.01 -36.48 84.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.6 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -62.65 -35.05 78.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.825 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -56.85 -45.51 82.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.379 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -61.42 -43.47 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.647 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.83 -25.53 67.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -58.84 -32.26 69.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 75' ' ' LEU . 4.0 mm? -62.6 -36.43 82.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.719 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.8 mtt -63.15 -5.18 2.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.398 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 64.0 tttp -69.75 111.01 5.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.471 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 61.9 m-20 -161.65 100.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.473 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.3 t -152.11 157.6 41.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.571 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 81' ' ' SER . 2.3 p30 -165.84 -37.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.616 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.53 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -163.54 124.18 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.513 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -50.72 -44.51 58.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' A' ' 87' ' ' GLU . 96.3 mt-10 -63.37 -41.82 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.763 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -62.51 -38.6 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.737 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 95.1 mt -64.36 -44.87 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -58.51 -44.73 89.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.341 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.5 OUTLIER -67.7 -37.14 81.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 179.466 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.73 88.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.556 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.37 -45.03 84.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.47 -44.83 96.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.611 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.37 -40.64 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 96.6 mt-10 -70.48 -24.96 62.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.462 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.4 t0 -90.24 69.82 7.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.362 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 59.6 pttt -62.27 -42.09 99.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 37.8 p-10 -79.79 -2.44 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.471 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.41 20.77 46.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.5 p-10 -68.74 -25.04 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 87.85 20.5 50.2 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -145.92 149.55 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.347 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.458 ' CD1' ' N ' ' A' ' 100' ' ' ILE . 1.7 mp -101.9 115.81 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.23 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 15.3 t -96.52 179.99 4.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.716 179.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -57.71 -48.36 79.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.515 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.437 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -54.93 -46.08 74.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.271 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 45.3 mt-10 -71.51 -38.62 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.04 -31.81 73.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.419 ' O ' ' OG1' ' A' ' 110' ' ' THR . 75.9 ttt-85 -69.79 -38.86 76.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.609 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 17.5 m170 -56.16 -43.16 78.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.328 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.98 -47.81 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.578 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 52.3 mtt -65.89 -40.49 91.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 8.3 m -63.25 -42.14 99.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.41 -36.12 77.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.439 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.09 -11.68 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.673 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.79 -21.43 45.01 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.47 132.03 46.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.445 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 34.8 pttt -113.52 110.83 20.91 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.093 0.473 . . . . 0.0 110.346 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 8.8 mp -107.07 146.48 31.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.587 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 20.0 p -75.04 166.13 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.392 -179.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 38.7 p-10 -64.26 -38.79 92.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.517 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.3 mt-10 -68.36 -39.13 81.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.787 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.07 -38.84 92.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.4 t -62.91 -46.02 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.377 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -60.45 -45.02 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -68.49 -38.75 81.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.637 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 124' ' ' MET . 2.0 tmt? -61.35 -45.07 95.94 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -62.86 -44.47 99.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.509 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.95 -44.95 91.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.793 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.58 -32.58 68.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.445 ' O ' ' CE ' ' A' ' 144' ' ' MET . . . -84.54 -29.54 25.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.537 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 37.3 t0 -72.54 106.93 4.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.618 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.0 mt -69.21 -40.3 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.561 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.53 -2.67 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.245 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.4 30.11 1.94 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.537 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 30.0 p-10 -86.49 -3.34 59.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.527 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.42 -3.38 85.04 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -140.11 156.12 46.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.07 0.462 . . . . 0.0 110.302 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.1 t -99.04 130.49 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.437 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 22.7 t-20 -96.53 165.21 12.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.435 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.445 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 83.7 t80 -59.39 -50.73 72.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.249 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.02 -38.41 86.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -70.34 -40.78 73.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 120.738 0.304 . . . . 0.0 110.5 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.35 -49.09 78.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.36 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.437 ' O ' ' OG1' ' A' ' 146' ' ' THR . 73.3 t -58.21 -47.76 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.178 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 147' ' ' ALA . 65.8 tt0 -65.6 -45.2 84.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.492 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.445 ' CE ' ' O ' ' A' ' 128' ' ' ALA . 39.8 ttm -61.84 -33.87 74.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.394 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 3.1 ttt -78.09 -35.41 49.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 3.4 p -86.32 -14.13 44.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -59.91 138.41 57.83 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.455 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.566 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.5 m -60.97 -41.07 95.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.56 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 169.46 23.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.589 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 54.94 13.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.625 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -64.97 -39.12 93.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -58.43 -41.95 86.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.512 ' NE2' ' N ' ' A' ' 65' ' ' SER . 85.1 t60 -162.44 117.54 1.86 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.39 -45.58 79.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 65' ' ' SER . . . 142.76 106.05 0.56 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.512 ' N ' ' NE2' ' A' ' 62' ' ' HIS . 4.9 m 45.16 95.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.544 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 65' ' ' SER . 2.2 p 77.42 175.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.547 ' C ' ' H ' ' A' ' 69' ' ' ASN . . . 167.94 -155.68 26.68 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -71.38 34.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.884 0.373 . . . . 0.0 110.697 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.547 ' H ' ' C ' ' A' ' 67' ' ' GLY . 48.0 t30 -64.61 -36.52 84.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.14 -39.66 90.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.51 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -59.8 -48.38 81.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -61.98 -45.41 93.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.572 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -62.51 -25.72 68.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.412 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.473 ' O ' ' O ' ' A' ' 77' ' ' LYS . 5.0 t -59.93 -37.68 80.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.56 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 75' ' ' LEU . 10.2 mp -63.32 -40.3 96.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.464 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.5 mtp -70.05 -5.49 27.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.664 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 74' ' ' SER . 34.1 ttpt -131.46 121.01 23.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.11 0.481 . . . . 0.0 110.593 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 98.8 m-20 -138.19 -81.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 p -76.6 168.61 19.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.401 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -126.89 -35.03 2.32 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.536 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -61.73 108.19 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.215 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.537 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 2.7 pm0 -52.48 -31.85 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.02 -39.0 93.11 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -66.42 -33.02 74.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.458 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.29 -49.73 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.423 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -64.63 -45.94 84.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.705 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -64.24 -47.83 78.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.565 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.419 ' O ' ' OE2' ' A' ' 92' ' ' GLU . . . -57.95 -41.48 82.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.365 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 72.7 t80 -56.76 -45.37 82.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.342 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -63.52 -43.69 96.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.929 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.17 -42.01 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.042 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -70.29 -21.24 62.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.196 -179.687 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 97.3 m-20 -91.82 69.84 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.318 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.66 -40.94 93.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 35.2 p-10 -80.17 -2.41 44.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.435 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.49 20.81 52.75 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 49.6 p-10 -69.23 -25.45 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.6 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 83.64 24.88 48.59 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -143.33 143.94 31.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.915 0.388 . . . . 0.0 110.521 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 mm -99.51 110.79 27.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.081 0.467 . . . . 0.0 110.486 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 p -96.69 178.26 5.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.529 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.9 80.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.409 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.0 -47.38 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.341 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.65 -40.27 76.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.505 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.489 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.7 tp -65.2 -31.85 73.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -69.3 -42.54 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.981 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -56.19 -41.66 75.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.295 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.22 -45.35 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.436 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.99 -39.67 95.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.6 m -63.52 -41.09 98.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.261 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -61.51 -36.96 82.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.187 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.3 mt -76.04 -3.33 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.69 28.11 30.31 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -124.39 142.39 51.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.922 0.391 . . . . 0.0 110.391 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -131.94 120.88 23.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 mt -115.28 158.24 22.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.441 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.5 m -75.4 166.31 23.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.455 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -63.13 -41.56 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.611 -179.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.19 -36.73 77.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.576 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.98 -41.19 95.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.53 -45.69 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.467 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.18 -47.23 84.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.449 ' O ' ' OE2' ' A' ' 127' ' ' GLU . 80.1 mm-40 -67.14 -39.56 86.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.19 -44.19 92.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.534 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.2 mt -63.2 -43.33 98.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.381 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -60.12 -45.55 92.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.57 ' N ' ' OE1' ' A' ' 127' ' ' GLU . 0.4 OUTLIER -68.64 -34.33 75.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.746 179.786 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.22 -30.66 27.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.72 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.552 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 64.9 t0 -67.41 115.56 7.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.1 -43.79 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -89.72 5.08 47.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.568 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.7 38.66 3.19 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.552 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.2 p-10 -87.35 -5.26 58.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.295 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.87 -6.74 61.25 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -137.11 150.39 47.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 110.42 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.9 t -102.83 122.22 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.96 0.409 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.52 172.2 8.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.634 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.6 t80 -59.48 -48.0 83.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.488 -179.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -63.84 -43.06 97.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.689 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -68.93 -38.81 79.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.708 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -60.88 -48.28 82.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.216 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.5 t -57.37 -44.47 84.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.148 -179.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 147' ' ' ALA . 88.8 mt-30 -65.1 -46.58 80.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.603 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.6 ttm -58.51 -33.02 69.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.216 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 82.8 mmm -81.25 -33.01 33.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.804 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.455 ' O ' ' CG2' ' A' ' 146' ' ' THR . 88.4 m -100.89 10.25 41.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.7 112.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 79.1 tttt . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.516 -179.877 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.417 ' C ' ' H ' ' A' ' 59' ' ' HIS . 58.2 m -132.37 153.21 51.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 110.566 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 57.0 t-80 56.3 10.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.417 ' H ' ' C ' ' A' ' 57' ' ' SER . 77.8 m80 -139.55 61.32 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.465 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 63' ' ' HIS . 72.0 m80 -100.26 44.99 0.99 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.419 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -67.05 -43.67 82.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.723 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.5 -42.51 92.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 60' ' ' HIS . 29.1 m170 -108.86 121.57 45.37 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.524 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.43 44.38 3.17 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.0 p -60.25 -34.76 74.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 0.0 110.488 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.2 t -78.63 170.99 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.532 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.43 18.57 56.83 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.28 157.09 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.748 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -65.39 -38.32 89.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.961 0.41 . . . . 0.0 110.632 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.49 -26.24 64.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.905 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -56.55 -41.48 76.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.387 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -59.85 -41.87 92.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.501 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -64.72 -24.47 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.559 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -56.69 -32.64 65.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.433 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' A' ' 75' ' ' LEU . 4.0 mm? -62.62 -41.45 99.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.8 mtp -75.69 6.43 4.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.449 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -132.73 -165.94 1.68 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.405 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.9 t0 65.64 120.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.595 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -146.4 156.25 43.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -127.17 -76.37 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.2 m -127.72 127.64 44.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.983 0.42 . . . . 0.0 110.544 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.78 -34.47 59.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.509 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.46 -35.33 80.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.645 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.94 -36.23 82.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.475 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.0 mt -64.38 -42.84 96.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.429 ' NH1' ' OH ' ' A' ' 138' ' ' TYR . 91.5 mtt-85 -61.68 -43.33 99.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.733 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -66.91 -41.25 87.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.86 -40.48 72.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.058 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.13 -45.0 83.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.312 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 86.0 mtm180 -59.94 -45.34 92.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.394 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.2 t -58.21 -41.03 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -72.5 -21.1 61.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.449 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 36.0 t0 -100.45 66.04 1.24 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.245 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -60.56 -37.5 81.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -78.97 4.07 15.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.13 24.76 67.46 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.67 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -86.45 118.86 26.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.338 0.59 . . . . 0.0 109.834 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.2 1.26 0.03 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.67 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 64.2 m-85 -128.42 143.25 50.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.056 0.455 . . . . 0.0 110.449 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -101.57 123.48 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.434 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -96.55 179.82 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.35 91.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.632 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.82 -49.38 65.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.462 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -66.24 -37.16 84.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.316 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 47.5 tp -62.46 -31.35 72.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.235 179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -73.96 -31.51 63.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 0.0 110.59 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -58.26 -42.22 85.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.782 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 109' ' ' MET . 0.8 OUTLIER -65.49 -40.33 87.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.434 ' N ' ' CG1' ' A' ' 108' ' ' VAL . 61.0 mtt -68.95 -37.34 78.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.207 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.4 m -59.17 -24.81 63.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.485 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 57.2 t-20 -56.98 -30.87 64.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.75 -33.41 70.77 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 120.734 0.302 . . . . 0.0 110.459 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.54 19.29 11.42 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -129.36 113.17 14.63 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.784 0.326 . . . . 0.0 110.275 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -82.41 139.15 34.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 65.2 mt -108.6 163.49 13.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.369 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.8 m -77.2 164.28 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.514 -179.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -66.23 -41.15 90.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.819 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.67 -38.23 86.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -61.09 -45.09 96.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.793 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.3 -45.32 99.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -58.3 -48.46 80.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.939 0.399 . . . . 0.0 110.701 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.58 -39.65 88.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.5 tpt -60.28 -46.16 90.8 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.59 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -63.26 -43.17 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.295 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -60.09 -42.72 95.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.005 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.47 -39.11 85.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.3 -24.85 29.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.715 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 125' ' ' ILE . 42.0 t0 -78.23 100.8 6.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.57 -26.12 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.408 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -84.18 -1.42 55.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.457 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.21 25.84 0.47 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.449 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 31.5 p30 -90.69 -5.6 55.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.628 0.251 . . . . 0.0 110.568 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.56 2.57 69.37 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.523 ' NE2' ' CG ' ' A' ' 99' ' ' TYR . 53.1 tt0 -129.25 143.05 50.71 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.229 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -98.73 122.6 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.264 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -95.42 161.99 13.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.543 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.429 ' OH ' ' NH1' ' A' ' 86' ' ' ARG . 79.2 t80 -59.42 -49.15 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.407 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 45.7 mp0 -60.89 -39.92 91.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.452 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -71.02 -37.53 72.61 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.68 0.276 . . . . 0.0 110.504 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -60.91 -48.47 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.502 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.412 ' O ' ' OG1' ' A' ' 146' ' ' THR . 75.8 t -58.34 -45.07 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.169 -179.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 147' ' ' ALA . 77.8 mt-30 -63.63 -47.56 80.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 110.733 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 61.8 ttp -58.95 -30.81 68.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.333 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 80.6 mmm -87.67 -32.95 18.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.412 ' OG1' ' O ' ' A' ' 142' ' ' VAL . 1.3 m -96.31 8.8 43.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.524 -179.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -65.94 134.29 52.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.677 179.85 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.2 m -71.24 144.92 49.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.431 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -74.19 147.67 42.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.64 -162.06 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.477 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -61.57 139.88 58.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.461 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -77.94 -77.47 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.612 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -165.9 100.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.595 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -157.03 155.03 30.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.618 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.78 153.22 6.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.9 p -156.54 34.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 110.574 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.5 t -79.22 174.64 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.557 ' C ' ' H ' ' A' ' 69' ' ' ASN . . . -162.9 176.28 39.19 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 65.46 -43.12 0.35 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.818 0.342 . . . . 0.0 110.735 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.557 ' H ' ' C ' ' A' ' 67' ' ' GLY . 35.4 t30 -65.13 -37.04 86.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.9 -39.97 93.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.598 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.88 -42.04 97.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.367 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.51 -42.6 96.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.486 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -56.05 -26.38 48.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.4 m -60.17 -36.72 78.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.437 ' CD1' ' N ' ' A' ' 75' ' ' LEU . 10.3 mp -64.18 -40.13 95.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.471 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.8 mtt -69.6 -11.34 60.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.665 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -94.44 -168.95 1.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.473 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 70.62 63.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 81' ' ' SER . 21.6 p -78.23 -15.65 58.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.713 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.6 t0 55.06 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 79' ' ' THR . 13.3 t -140.81 123.24 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.447 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 56.2 mp0 -54.16 -38.9 66.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.748 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -64.42 -37.97 89.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.76 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -66.03 -36.03 82.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.463 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.5 -43.85 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.432 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 83.4 mtt85 -61.23 -43.51 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.558 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -65.92 -43.62 87.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.43 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.87 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.425 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.48 -46.46 90.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.367 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -63.7 -47.09 82.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.384 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.57 -41.12 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.207 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 104' ' ' GLU . 45.0 tp10 -71.23 -23.83 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.332 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -87.01 77.86 9.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.481 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -60.69 -41.89 96.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.664 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 97' ' ' ASN . 7.9 m-20 -77.65 -2.46 36.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.333 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.26 21.55 0.74 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' ASP . 27.5 p-10 -78.18 -10.34 59.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 110.606 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.63 21.52 57.87 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -142.92 146.3 33.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.382 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.437 HG23 HD11 ' A' ' 100' ' ' ILE . 30.9 mm -109.68 122.27 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.996 0.426 . . . . 0.0 110.456 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.505 ' HG ' ' N ' ' A' ' 102' ' ' ALA . 11.3 t -97.97 179.71 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.426 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.505 ' N ' ' HG ' ' A' ' 101' ' ' SER . . . -57.37 -47.08 82.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.551 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.56 -49.01 73.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.55 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' A' ' 92' ' ' GLU . 41.7 mt-10 -71.46 -40.35 70.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.06 -33.14 74.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -71.26 -34.65 70.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.462 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -55.7 -41.04 73.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.173 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.66 -45.69 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.3 mmt -61.94 -37.74 85.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.531 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 m -57.56 -39.4 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -58.45 -37.19 74.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.2 mp -69.82 -31.35 69.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.401 179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.19 30.11 5.8 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -108.93 133.23 53.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.088 0.471 . . . . 0.0 110.214 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -103.77 107.13 17.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.6 mt -110.87 145.9 37.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.1 p -77.04 169.2 18.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.407 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 39.2 p-10 -62.94 -41.41 99.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 79.4 tt0 -68.91 -40.06 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.657 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -61.71 -40.96 96.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.26 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.37 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.45 -49.1 79.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.499 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.57 -36.6 83.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.726 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 tpp -59.39 -39.55 83.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.96 0.409 . . . . 0.0 110.355 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -67.11 -42.49 88.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.63 -47.01 85.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.391 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.57 -34.09 77.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.46 -28.2 31.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.549 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 42.9 t0 -67.5 110.05 3.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.235 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.9 mt -70.43 -44.34 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.981 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -93.28 8.48 40.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.705 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.19 45.44 6.32 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.56 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 36.3 p-10 -92.62 0.28 57.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.508 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.406 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 75.48 -10.77 10.93 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.412 ' H ' ' C ' ' A' ' 133' ' ' ASP . 88.0 mt-30 -136.55 150.93 48.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.448 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.1 t -95.88 124.19 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.079 0.466 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -92.41 162.09 14.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.38 -49.96 75.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.343 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.48 -39.03 82.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.458 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.67 -33.84 64.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.693 0.282 . . . . 0.0 110.451 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.5 -50.0 73.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.399 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.98 -47.37 90.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.234 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' A' ' 147' ' ' ALA . 78.1 mt-30 -66.53 -47.46 72.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.009 0.433 . . . . 0.0 110.752 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 144' ' ' MET . 12.5 tmm? -60.26 -32.6 71.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.3 mmm -74.78 -39.45 61.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.458 ' O ' ' CG2' ' A' ' 146' ' ' THR . 86.2 m -104.3 13.11 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.616 -179.402 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.88 105.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.461 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.614 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -68.03 147.5 52.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 110.535 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -65.2 -39.56 92.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -85.0 62.51 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.499 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.33 -88.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 62' ' ' HIS . 86.4 t60 -165.58 140.42 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 99.2 m-70 -102.36 -169.58 1.69 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.563 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.0 m80 55.02 176.35 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.451 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.78 168.26 38.87 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 t -70.02 62.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.492 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.3 p -65.46 -32.68 74.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.496 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.1 38.08 48.16 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.02 -34.54 72.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.775 0.322 . . . . 0.0 110.461 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -61.76 -44.42 96.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.53 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -65.41 -40.52 93.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.812 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.15 -37.44 87.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.288 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.97 -42.62 90.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -58.75 -30.05 67.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.635 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.4 m -60.04 -38.1 81.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' A' ' 75' ' ' LEU . 10.2 mp -61.81 -42.16 98.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.374 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.437 ' O ' ' O ' ' A' ' 77' ' ' LYS . 42.2 mtt -71.71 -7.23 46.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.777 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 76' ' ' MET . 64.5 mttp 55.75 159.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.584 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -159.93 95.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 74.4 p -85.74 167.08 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.335 179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -117.25 60.7 0.75 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.609 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.8 p -166.36 94.22 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.387 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -51.28 -37.89 49.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.404 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -63.59 -36.7 84.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.558 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -64.29 -34.43 78.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.419 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.401 HG23 HD11 ' A' ' 85' ' ' ILE . 28.1 mm -61.82 -46.51 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.498 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -63.19 -44.18 96.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -67.37 -44.56 78.66 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 121.182 0.515 . . . . 0.0 110.477 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' O ' ' OE1' ' A' ' 92' ' ' GLU . . . -63.06 -48.3 79.26 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.92 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -55.64 -55.22 34.63 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.521 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 91' ' ' VAL . 14.7 ptm180 -63.44 -44.62 94.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 0.0 111.093 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.446 ' N ' ' CG ' ' A' ' 90' ' ' ARG . 21.2 t -58.23 -41.37 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 92' ' ' GLU . 1.2 mp0 -71.87 -17.14 62.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.282 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 15.4 t0 -85.36 83.03 8.09 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.241 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.02 -45.13 93.79 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 120.801 0.334 . . . . 0.0 111.069 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.54 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 25.1 p-10 -81.23 -1.78 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.545 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 51.11 22.74 6.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.54 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 44.4 p-10 -72.16 -11.23 60.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.532 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 81.74 23.5 57.78 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -143.05 145.16 32.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.867 0.365 . . . . 0.0 110.479 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.411 HD11 HG21 ' A' ' 100' ' ' ILE . 20.2 mm -104.17 119.68 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.317 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.528 ' HG ' ' N ' ' A' ' 102' ' ' ALA . 8.2 t -109.03 179.06 4.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.467 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . 0.528 ' N ' ' HG ' ' A' ' 101' ' ' SER . . . -54.28 -44.79 72.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.04 -48.5 70.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.208 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.25 -36.84 69.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.923 0.392 . . . . 0.0 110.449 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.36 -31.35 71.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.243 0.544 . . . . 0.0 110.008 -179.813 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -65.68 -39.35 91.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -54.66 -41.55 70.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.213 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 88.9 t -66.1 -44.44 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.431 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 57.7 mtt -63.73 -41.84 97.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.35 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.7 m -60.51 -40.33 91.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.11 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -58.53 -31.75 68.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.279 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.3 -20.39 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.33 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.46 22.28 44.58 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -139.52 104.39 4.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.894 0.378 . . . . 0.0 110.45 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -82.43 140.62 33.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.324 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 49.1 mt -112.35 163.08 14.83 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -75.45 164.36 26.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.522 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.49 -40.71 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.4 mp0 -67.27 -38.33 84.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.688 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -61.42 -45.68 93.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.89 -45.98 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.575 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -58.65 -48.96 79.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.768 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.27 -36.84 84.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.688 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ttt -61.86 -41.08 97.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.487 . . . . 0.0 110.511 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 129' ' ' ASP . 97.1 mt -67.32 -42.85 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.988 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.87 -44.99 95.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.608 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.73 -30.63 64.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.06 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.64 -29.78 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.714 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.553 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 62.9 t0 -65.97 115.66 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.5 mt -70.18 -44.05 78.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -91.28 7.71 39.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.659 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.96 37.1 2.06 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.553 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 46.8 p-10 -85.2 -2.37 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.478 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.7 -6.41 54.05 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -131.85 144.95 51.26 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.213 0.53 . . . . 0.0 110.511 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.72 124.24 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -98.17 170.75 8.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.701 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -61.52 -47.54 85.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.55 -40.85 88.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.67 -43.73 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.453 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -60.84 -50.59 72.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.267 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.25 -43.76 86.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.949 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -61.01 -48.9 79.67 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.472 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.9 mtm -65.18 -34.56 78.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.012 0.434 . . . . 0.0 110.533 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.25 -39.65 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 34.6 m -99.33 14.04 31.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.781 -179.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.67 131.24 48.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.395 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt . . . . . 0 C--O 1.222 -0.366 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.785 -179.836 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 p -157.26 161.7 39.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.435 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.489 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 6.3 p80 -95.81 46.2 1.09 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.436 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -71.73 145.11 49.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.411 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -106.4 142.99 35.16 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.388 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -71.78 130.33 40.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.342 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -108.06 128.37 54.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -61.77 -42.07 98.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.473 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.45 108.97 0.23 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.6 p -66.52 -43.38 85.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.68 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.8 t -78.53 142.58 37.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.74 77.85 1.18 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -79.34 168.7 19.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 0.0 110.518 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.2 -33.34 75.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.429 ' N ' ' CD1' ' A' ' 70' ' ' LEU . 10.4 mp -61.65 -38.69 88.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.488 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -59.37 -48.79 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -67.04 -37.72 84.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.641 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -62.49 -31.56 72.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 77' ' ' LYS . 57.3 m -58.09 -39.2 77.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.609 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.429 ' N ' ' CD1' ' A' ' 75' ' ' LEU . 10.3 mp -63.1 -40.07 96.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 144' ' ' MET . 50.9 mmm -71.33 0.02 9.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.609 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' SER . 34.8 ttmt -134.52 144.21 47.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -147.26 -82.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.714 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.6 p -87.03 113.05 22.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.68 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.5 -44.09 92.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.598 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 t -57.28 109.04 0.6 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.432 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -53.34 -34.14 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.651 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.89 -38.57 91.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.716 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.47 -32.4 73.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.758 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.74 -45.99 96.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.464 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.91 -44.9 91.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.386 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.67 -36.65 81.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.567 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.64 86.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -56.45 -44.08 80.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.26 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -55.76 -45.01 78.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.231 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' A' ' 93' ' ' ASP . 94.5 t -66.48 -42.1 89.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.419 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -72.99 13.73 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.415 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.483 ' H ' ' C ' ' A' ' 91' ' ' VAL . 4.3 m-20 -149.88 65.31 0.98 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.025 0.44 . . . . 0.0 110.686 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -58.53 -32.06 68.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -77.89 -1.0 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.582 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.59 30.95 79.31 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.641 ' C ' ' H ' ' A' ' 99' ' ' TYR . 3.3 t-20 -89.01 117.26 27.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.232 0.539 . . . . 0.0 110.43 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.03 -0.51 0.05 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.641 ' H ' ' C ' ' A' ' 97' ' ' ASN . 91.0 m-85 -129.82 149.88 51.36 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.9 mt -107.11 127.29 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.333 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.4 p -101.28 179.37 4.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.392 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.21 92.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.716 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.44 -47.29 66.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.141 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -70.57 -34.38 72.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.004 0.43 . . . . 0.0 109.978 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.61 -32.57 73.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.269 0.556 . . . . 0.0 110.384 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.96 -35.48 80.81 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.729 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . 0.495 ' O ' ' OG1' ' A' ' 110' ' ' THR . 28.1 m170 -54.42 -40.35 68.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.917 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.73 -44.74 94.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.225 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -61.83 -40.4 95.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.538 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 69.1 p -63.09 -33.04 74.59 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.487 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -64.06 -41.82 97.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.555 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.06 -30.88 65.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.06 -14.7 44.39 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.71 145.05 52.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.673 0.273 . . . . 0.0 110.314 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -115.96 113.42 23.25 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.982 0.42 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.6 mt -118.22 158.85 24.37 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.211 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.461 ' HG1' ' H ' ' A' ' 120' ' ' GLU . 46.9 p -83.5 167.68 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.388 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.61 -40.61 97.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.743 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.49 -39.24 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.461 ' H ' ' HG1' ' A' ' 117' ' ' THR . 95.5 mt-10 -64.62 -38.88 92.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.55 179.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.82 -46.94 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.435 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.28 -46.1 91.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.32 -36.87 82.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.579 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 37.7 tpp -61.61 -45.14 95.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.441 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.8 mt -63.33 -42.97 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.3 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -56.92 -42.1 79.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.462 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.25 -36.29 83.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.564 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.78 -24.06 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 50.1 t0 -62.0 111.42 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.358 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 mm -68.53 -44.53 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.253 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 39.6 p30 -98.2 14.36 28.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.991 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.46 35.15 1.86 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.536 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.4 p-10 -80.11 -1.52 40.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.655 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 79.28 -3.07 68.13 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -140.22 157.34 45.74 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 110.329 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.9 t -98.68 122.09 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.147 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -91.92 161.15 14.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.362 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -59.3 -50.22 74.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.35 -37.89 79.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.39 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.418 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 39.3 mt-10 -75.28 -32.69 61.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.93 -47.79 84.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.394 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.41 -45.93 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.001 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 147' ' ' ALA . 16.2 mm100 -65.55 -45.24 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.523 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' MET . 52.8 ttm -59.12 -32.88 70.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.301 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 17.8 tpp -86.65 -33.52 20.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 8.9 m -94.92 3.87 54.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 110.682 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -58.2 140.41 53.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.416 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 22.1 pttp . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.531 179.9 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.1 m -70.92 145.69 49.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.511 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' ND1' ' C ' ' A' ' 58' ' ' HIS . 9.7 p80 -81.83 154.77 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.56 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -150.61 149.98 30.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.544 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -98.14 65.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.59 -46.83 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.545 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.461 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 78.5 t60 -160.57 168.03 25.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.461 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 90.1 m-70 -59.48 -46.48 88.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.651 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.82 119.54 5.27 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -155.87 158.89 38.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.525 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.3 p -79.39 161.73 25.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.599 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.24 1.46 90.43 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -113.9 38.61 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.746 0.308 . . . . 0.0 110.637 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -64.03 -28.44 69.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.95 -32.89 74.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.507 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -57.82 -45.47 86.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.517 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.96 -45.0 96.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.555 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -67.22 -29.58 69.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.6 m -59.04 -32.75 70.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.524 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.02 -44.63 96.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.657 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.9 mtt -75.88 -6.11 49.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.62 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -95.06 127.61 41.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.606 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -169.49 124.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.525 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 p -112.64 132.07 55.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.621 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 81' ' ' SER . 53.3 p-10 -168.64 55.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.548 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 80' ' ' ASP . 1.3 m 59.23 117.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.556 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.43 -32.74 58.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.475 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.38 -40.85 98.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.769 -178.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -58.48 -31.32 67.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.425 HD11 HG23 ' A' ' 85' ' ' ILE . 38.0 mm -59.39 -43.7 90.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 -179.253 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.15 -46.41 90.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.63 -36.84 76.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.42 -43.83 84.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.532 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -56.79 -43.9 81.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -58.28 -45.35 88.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' A' ' 93' ' ' ASP . 94.8 t -69.64 -41.0 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.666 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 97.4 mt-10 -73.45 10.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 91' ' ' VAL . 43.8 t0 -130.87 68.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.671 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.24 -40.11 89.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.609 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 97' ' ' ASN . 5.2 m-20 -76.01 -2.73 32.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.281 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.15 19.89 0.45 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.489 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 9.9 p-10 -73.17 -12.76 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.377 . . . . 0.0 110.562 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.02 15.57 62.58 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -138.97 143.24 38.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.555 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 100' ' ' ILE . 1.5 mp -101.08 121.13 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.3 p -98.3 179.42 4.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.623 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.08 83.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.616 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.92 -48.56 60.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.274 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 16.4 mt-10 -64.35 -35.48 81.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.473 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.437 ' O ' ' CD1' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.1 -31.33 72.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.463 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.447 ' O ' ' OG1' ' A' ' 110' ' ' THR . 79.4 ttt-85 -69.01 -42.01 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.027 -179.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -56.05 -41.27 74.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.438 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.3 t -65.33 -49.02 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.646 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 84.7 mmm -65.52 -39.02 91.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.447 ' OG1' ' O ' ' A' ' 106' ' ' ARG . 16.9 m -57.2 -37.61 72.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.446 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -59.65 -40.74 88.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 10.9 mp -72.81 -8.2 54.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.4 -2.68 83.37 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -69.68 123.63 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -102.62 106.79 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.538 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.7 mt -118.28 157.12 27.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.485 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.0 p -86.34 167.69 14.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.629 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.18 -36.69 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.34 -39.89 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.55 -44.45 96.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.88 -47.02 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.478 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -58.53 -47.69 83.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.55 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.87 -38.2 85.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.0 tpt -61.7 -40.35 94.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' ASP . 4.7 mm -64.02 -44.41 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.702 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -59.13 -41.48 88.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.92 -40.02 79.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.07 -26.2 48.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.58 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 60.6 t0 -63.23 112.56 2.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.647 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 42.2 mt -69.89 -44.05 79.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -89.99 8.24 33.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.674 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.98 38.59 2.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.58 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.1 p-10 -89.71 0.61 56.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 110.622 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 83.2 -0.77 89.55 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -139.6 159.48 42.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 0.0 110.516 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.1 t -108.54 129.97 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.369 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -94.17 174.01 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.551 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -60.72 -49.59 76.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.505 ' OE1' ' N ' ' A' ' 139' ' ' GLU . 56.4 mp0 -61.78 -36.73 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -66.47 -44.63 82.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.675 179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.1 -47.71 83.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.9 -46.73 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.107 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.551 ' O ' ' N ' ' A' ' 147' ' ' ALA . 91.0 mm-40 -66.54 -44.25 82.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.599 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.8 ttm -59.42 -38.33 80.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.46 -42.46 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.476 ' O ' ' CG2' ' A' ' 146' ' ' THR . 49.3 m -88.79 0.59 56.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.57 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.551 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -63.41 142.49 58.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.512 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.354 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.89 -40.31 94.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -63.18 -39.94 96.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.669 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.413 HG23 ' SD ' ' A' ' 145' ' ' MET . 96.7 mt -64.43 -44.08 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.16 -45.02 96.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.632 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.24 -41.05 90.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.74 -39.2 70.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.341 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.97 -45.57 82.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -62.39 -45.26 93.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.582 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.21 -42.4 90.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.359 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.76 -24.39 61.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 47.6 t0 -92.12 60.8 3.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.241 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -59.58 -37.1 77.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -80.32 -2.79 46.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.631 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 56.72 21.48 36.33 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.432 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 52.1 p-10 -70.54 -17.25 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.48 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.426 ' H ' ' CG ' ' A' ' 93' ' ' ASP . . . 78.32 22.44 67.78 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 84.9 m-85 -143.41 147.18 34.21 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.579 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.2 mm -102.68 114.71 42.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.969 0.414 . . . . 0.0 110.569 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.0 m -96.61 174.47 6.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.435 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.63 -47.88 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.55 -48.89 68.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.323 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -70.98 -35.95 72.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.359 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.683 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.1 tt -63.43 -33.64 76.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.126 0.489 . . . . 0.0 110.409 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.2 mtp-105 -70.42 -33.01 70.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.602 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -55.37 -41.52 72.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.119 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.35 -45.26 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.728 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.7 mmm -64.94 -43.48 92.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.615 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.5 m -61.63 -41.1 97.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.189 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.402 ' HA ' HD21 ' A' ' 111' ' ' ASN . 6.8 m120 -60.29 -37.91 82.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.44 -12.38 61.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.948 0.404 . . . . 0.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.94 -3.74 62.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -82.54 130.53 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.417 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -122.55 115.61 22.47 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.602 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.7 mt -111.71 156.1 22.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.5 p -76.53 169.99 17.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.457 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.29 -41.64 99.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.78 -37.02 81.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.86 -41.23 97.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 56.5 t -62.1 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.473 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -58.67 -49.11 78.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.32 -38.59 78.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.3 ttp -61.4 -47.4 85.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.55 -45.02 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.761 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -60.93 -44.38 97.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.43 -35.08 70.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.759 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.85 -30.34 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.591 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 27.9 t70 -72.31 112.4 8.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.379 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.54 -43.23 83.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 20.5 p-10 -80.91 2.6 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.746 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.561 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 42.05 31.25 0.83 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.591 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.6 p-10 -83.94 -0.89 53.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.371 . . . . 0.0 110.465 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.72 -7.94 31.04 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -133.31 146.92 51.79 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.022 0.439 . . . . 0.0 110.422 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.4 t -97.75 124.6 50.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.19 164.35 13.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.39 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -59.11 -49.8 76.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.33 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -59.57 -37.39 78.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.408 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -75.02 -37.02 61.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.588 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 61.4 t80 -60.48 -50.63 72.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.6 t -58.29 -46.3 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.171 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -65.31 -44.31 88.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.57 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.6 ttm -54.22 -31.97 54.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.298 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 28.4 mtt -92.73 -32.31 14.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.96 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 146' ' ' THR . 91.3 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.68 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.71 0.291 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.43 -41.21 93.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.35 -35.4 80.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.04 -44.96 99.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -62.88 -46.61 87.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.529 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -67.62 -42.23 82.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.76 68.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.082 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -58.75 -46.37 87.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.454 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -60.44 -44.64 95.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.708 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.27 -42.93 95.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.301 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.9 -26.38 62.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.34 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -88.95 67.4 8.16 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -57.48 -36.68 71.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 97' ' ' ASN . 13.8 m-20 -79.74 -3.39 47.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.233 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.59 20.95 0.69 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 95' ' ' ASP . 37.8 p-10 -77.46 -11.38 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.617 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.21 19.77 56.49 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.516 ' CE1' ' ND2' ' A' ' 137' ' ' ASN . 81.6 m-85 -142.32 146.55 35.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.337 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.1 mt -109.72 112.55 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.256 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 p -88.45 178.54 6.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.564 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.62 -44.36 89.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.92 77.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.358 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -68.51 -39.6 81.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.417 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.519 HD22 HD11 ' A' ' 125' ' ' ILE . 49.2 tp -62.62 -28.6 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -68.79 -40.6 79.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.81 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.46 ' O ' ' OG1' ' A' ' 110' ' ' THR . 6.5 m-70 -55.75 -41.81 74.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.976 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.0 t -66.1 -44.49 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.379 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.46 ' SD ' HD13 ' A' ' 116' ' ' LEU . 50.4 ttp -63.81 -42.74 97.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 20.5 p -56.37 -33.99 66.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.277 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 63.1 t-20 -65.2 -35.94 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.309 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.73 -32.31 70.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.49 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.54 25.22 12.34 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -106.12 137.5 43.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.83 0.348 . . . . 0.0 110.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.613 ' C ' HD12 ' A' ' 116' ' ' LEU . 98.9 mttt -108.67 107.8 18.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.776 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.613 HD12 ' C ' ' A' ' 115' ' ' LYS . 11.2 mp -113.7 151.05 32.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.015 0.436 . . . . 0.0 110.496 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.0 p -76.64 164.91 25.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -62.77 -39.58 94.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.96 -40.57 91.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.573 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -60.63 -44.05 96.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.754 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.9 -44.71 99.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.89 -43.98 91.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.72 -36.72 84.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.654 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 40.0 mtt -62.2 -40.79 97.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.681 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.519 HD11 HD22 ' A' ' 105' ' ' LEU . 38.6 mm -66.46 -43.37 91.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.813 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -63.46 -48.26 78.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.48 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.22 -37.57 72.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.992 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.7 -31.3 66.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.845 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 28.5 t0 -70.94 120.02 15.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.442 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.13 -45.43 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.475 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 3.1 p30 -91.26 11.81 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 43.38 47.72 6.94 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.506 ' H ' ' CG ' ' A' ' 129' ' ' ASP . 89.4 m-20 -85.91 -5.89 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.341 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.06 -7.45 75.04 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -140.63 155.29 46.58 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.066 0.46 . . . . 0.0 110.308 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.7 t -92.85 124.38 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.463 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 15.2 t-20 -97.57 171.25 8.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.482 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.421 ' N ' ' CG ' ' A' ' 137' ' ' ASN . 89.8 t80 -59.75 -48.84 80.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.37 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.47 -40.74 87.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.171 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.55 -38.19 74.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.28 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.6 -51.06 70.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.426 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.71 -45.2 86.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.91 -44.75 88.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.438 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.3 ttm -57.35 -32.54 66.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.14 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.8 mmt -90.53 -34.08 15.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.936 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.962 0.411 . . . . 0.0 110.5 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.535 0.207 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 9.8 pt-20 -61.59 -43.16 99.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 93.6 mt-10 -62.75 -42.71 99.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.625 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.69 -46.69 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.436 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -61.23 -43.89 98.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.357 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -66.84 -41.3 87.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.489 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.88 80.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.27 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -59.48 -45.32 92.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.62 -47.36 85.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.62 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.8 -43.05 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.089 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.58 -21.14 61.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.45 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.557 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 19.9 t0 -102.69 67.36 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.22 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.24 -34.7 74.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 26.1 p-10 -76.66 -1.16 26.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.565 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.46 21.21 66.47 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.591 ' C ' ' H ' ' A' ' 99' ' ' TYR . 4.0 t-20 -81.96 116.36 21.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.211 0.529 . . . . 0.0 110.022 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -52.06 -1.48 0.05 OUTLIER Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.591 ' H ' ' C ' ' A' ' 97' ' ' ASN . 88.3 m-85 -128.66 150.12 50.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.864 0.364 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.9 mm -107.95 127.32 64.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.4 m -101.92 179.25 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.443 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.83 86.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.33 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.126 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.21 -35.46 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.852 0.358 . . . . 0.0 110.169 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.47 -36.17 79.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.205 0.526 . . . . 0.0 110.241 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -69.86 -33.04 71.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.515 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -56.05 -40.94 74.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.311 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.06 -43.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.46 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.6 mmt -62.46 -39.71 94.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.8 m -61.14 -39.01 88.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.341 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -60.16 -24.14 64.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.446 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 mt -71.61 -19.52 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.456 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.11 -6.88 60.06 Favored Glycine 0 N--CA 1.462 0.387 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -120.75 113.62 20.46 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 110.463 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.74 138.5 38.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.443 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.7 mt -111.53 161.89 15.7 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.338 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 p -79.34 167.02 21.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.362 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.02 -41.14 99.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.725 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -64.98 -37.47 87.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.506 ' O ' ' SD ' ' A' ' 124' ' ' MET . 66.1 mm-40 -64.0 -40.7 96.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.711 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.03 -44.95 97.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.508 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -59.93 -46.87 87.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.651 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.26 -44.7 88.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.734 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.566 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -60.86 -44.21 97.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.637 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -64.0 -44.53 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.372 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -61.13 -40.34 93.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.753 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.03 -34.48 77.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.738 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.78 -19.49 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.65 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 61.2 t0 -76.84 101.26 5.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.9 mm -66.91 -43.36 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.686 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 13.3 p-10 -88.18 8.56 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.741 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 40.96 37.4 1.38 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 42.5 p-10 -81.28 -2.84 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.596 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 78.23 -2.18 67.12 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.439 ' NE2' ' CD2' ' A' ' 99' ' ' TYR . 40.7 tt0 -133.62 149.49 51.59 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.9 t -93.7 125.96 46.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -97.91 162.16 13.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.532 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -61.18 -49.37 77.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -57.89 -38.32 75.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.37 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.13 -40.65 74.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.38 -48.8 80.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.418 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 146' ' ' THR . 74.7 t -58.16 -46.9 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -54.91 -47.21 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 89.1 mmm -60.81 -30.23 69.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.294 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 97.3 mmm -89.16 -27.82 20.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.969 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 142' ' ' VAL . 4.5 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.748 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.836 0.35 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.3 -39.44 93.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.709 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.02 -42.62 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.586 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.82 -41.56 92.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -58.34 -42.95 87.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.39 -42.87 88.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.41 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -55.06 -39.02 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.266 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -66.98 -41.03 87.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.783 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.44 -46.65 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.444 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.42 ' H ' ' HG2' ' A' ' 92' ' ' GLU . 15.4 pt-20 -72.59 -20.88 61.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.543 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 35.0 t0 -88.14 69.27 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.437 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.67 -41.84 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.462 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 34.8 p30 -79.08 -1.98 38.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.567 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.96 20.44 4.37 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 45.9 p-10 -69.52 -20.63 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.544 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.8 17.63 59.49 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.474 ' C ' HD12 ' A' ' 100' ' ' ILE . 94.3 m-85 -140.34 143.84 35.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.6 mp -101.77 117.79 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.443 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 p -98.34 179.47 4.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.594 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.34 -47.36 78.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.593 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.29 63.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.215 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 33.9 mt-10 -71.24 -35.69 71.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.323 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.92 -33.7 75.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.363 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -69.01 -36.53 77.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -55.3 -41.87 72.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.07 -45.58 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.553 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.47 -40.25 96.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.482 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.3 p -65.16 -33.26 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.508 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.6 -40.3 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.546 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 112' ' ' LEU . 9.6 mp -80.5 -7.04 59.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.9 -3.81 86.65 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.15 123.98 23.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.396 . . . . 0.0 110.492 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -104.16 104.84 14.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.583 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.8 mt -116.63 157.06 25.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.338 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.8 p -80.77 165.12 22.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.528 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.44 -38.74 92.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.59 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.18 -40.42 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.11 -40.57 98.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.88 -44.84 99.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.07 -43.67 98.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -62.54 -40.33 96.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.2 mmm -62.34 -42.17 99.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -63.41 -44.43 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.482 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.29 -40.3 89.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.38 -32.82 72.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.95 -25.06 24.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.674 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 52.2 t0 -67.82 107.76 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.636 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.97 -44.1 85.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.737 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.46 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 13.0 p30 -92.48 8.39 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.739 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.41 42.62 4.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.512 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 38.2 p30 -84.11 -3.82 58.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.879 0.371 . . . . 0.0 110.568 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.06 -2.18 84.75 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.468 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 29.6 mm100 -134.94 152.12 51.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 110.553 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 74.6 t -100.46 124.39 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.518 ' ND2' ' OE1' ' A' ' 140' ' ' GLU . 6.2 p30 -97.87 179.1 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -60.13 -47.33 86.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.64 -39.15 90.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.518 ' OE1' ' ND2' ' A' ' 137' ' ' ASN . 71.7 mt-10 -72.39 -28.65 63.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.543 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -73.71 -52.28 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.2 t -57.05 -49.48 79.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.377 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -66.43 -40.09 89.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.914 0.388 . . . . 0.0 110.653 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.467 ' SD ' ' C ' ' A' ' 144' ' ' MET . 11.7 tmm? -63.46 -39.62 94.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.572 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.3 ttp -67.92 -31.31 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 146' ' ' THR . 20.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 56.7 mp0 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.676 0.274 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -59.56 -43.4 93.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.91 -33.09 72.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.648 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.5 -44.95 96.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 -62.25 -43.65 98.36 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.434 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -67.03 -42.14 85.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.333 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.64 79.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.323 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.48 -46.74 86.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.33 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.7 -46.21 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.563 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.83 -42.17 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.343 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -71.16 -23.26 62.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.361 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.489 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 31.4 t0 -88.34 73.78 8.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.294 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -61.11 -41.36 96.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 29.0 p-10 -80.75 -1.57 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.524 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.88 20.69 6.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.3 p-10 -66.39 -25.95 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.515 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 89.74 19.94 45.9 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -143.96 147.49 34.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 110.557 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mm -103.28 117.03 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.39 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.7 p -98.31 178.96 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.447 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.67 84.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.513 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.39 -46.85 66.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.102 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -70.48 -35.43 73.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.984 0.421 . . . . 0.0 110.447 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.714 HD22 HD11 ' A' ' 125' ' ' ILE . 4.3 tp -62.64 -32.77 73.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -71.02 -38.31 72.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.425 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.471 ' O ' ' OG1' ' A' ' 110' ' ' THR . 1.3 m-70 -56.38 -41.55 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.239 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.36 -45.24 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.409 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.0 mmt -64.82 -39.92 94.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.499 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 21.7 p -59.9 -32.23 70.55 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.436 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 54.0 t-20 -64.02 -39.93 95.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.259 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 112' ' ' LEU . 11.3 mp -75.99 -9.68 58.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.4 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.14 1.11 76.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -79.73 128.81 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.673 0.273 . . . . 0.0 110.29 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -117.01 111.85 20.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.439 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 87.2 mt -116.19 159.87 21.2 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.571 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 118' ' ' ASP . 7.9 m -77.87 165.8 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.472 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 117' ' ' THR . 75.3 m-20 -64.34 -40.19 95.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.39 -38.75 88.24 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.604 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -62.98 -39.79 95.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.35 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 80.2 t -64.88 -44.24 96.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.432 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.06 -44.4 94.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.465 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.24 -37.57 85.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.646 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.3 ttt -61.68 -43.17 99.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.714 HD11 HD22 ' A' ' 105' ' ' LEU . 29.6 mm -63.31 -44.34 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -60.51 -43.0 97.54 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.281 0.363 . . . . 0.0 110.806 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.78 -34.86 76.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.637 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.33 -27.03 32.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.696 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 51.8 t0 -64.4 109.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 110.386 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.2 mt -69.61 -44.06 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.979 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.48 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 24.2 p30 -92.6 8.02 40.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.691 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.14 41.59 6.35 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 41.1 p-10 -89.57 -2.03 58.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.702 0.287 . . . . 0.0 110.332 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.479 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 78.33 -6.09 52.77 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.444 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 8.9 tp-100 -135.66 150.81 49.72 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.985 0.421 . . . . 0.0 110.172 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 63.0 t -97.47 124.58 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.284 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 140' ' ' GLU . 2.3 p30 -93.92 169.71 10.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.559 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -61.23 -49.15 78.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.13 -37.65 77.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 22.4 tt0 -74.71 -36.2 62.71 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -62.6 -51.37 67.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.603 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.18 -46.17 92.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.133 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -65.57 -45.95 81.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.509 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.4 ttp -59.19 -32.16 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.349 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 mmt -92.76 -11.46 33.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.62 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 146' ' ' THR . 86.4 m . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 120.953 0.406 . . . . 0.0 110.627 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.833 0.349 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.16 -35.33 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -65.51 -32.52 74.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.26 -44.69 99.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.689 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -62.69 -46.76 86.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.867 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.33 -41.04 81.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.458 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.92 75.65 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.943 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.536 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 72.6 t80 -57.66 -44.9 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.32 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -62.69 -45.4 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.68 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.46 -41.0 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.9 -23.2 63.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.536 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 36.3 m-20 -89.48 69.95 7.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.43 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -60.08 -41.4 92.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.571 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.502 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 33.5 p-10 -80.35 -1.72 42.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.44 21.01 25.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.502 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 50.6 p-10 -71.76 -15.07 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.98 23.23 62.01 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -143.75 146.81 33.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.096 0.474 . . . . 0.0 110.449 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 mm -102.7 114.23 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.187 0.517 . . . . 0.0 110.632 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 13.1 t -99.74 178.85 4.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.364 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.468 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -56.24 -47.82 77.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.321 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.509 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -53.58 -47.23 70.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.542 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.29 -38.02 71.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.829 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.78 -31.82 73.22 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.454 ' HE ' HG21 ' A' ' 121' ' ' VAL . 99.6 mtt180 -70.42 -39.7 74.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.023 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 19.7 m170 -56.49 -41.12 76.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.429 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.9 -47.71 91.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.6 mtp -67.53 -35.43 79.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 m -60.25 -38.98 85.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.004 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -57.54 -35.29 70.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.115 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 112' ' ' LEU . 10.9 mp -73.31 -7.33 51.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.393 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.08 75.3 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -90.33 137.23 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.397 . . . . 0.0 110.216 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -119.04 112.53 19.68 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.383 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -116.8 158.75 23.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.1 p -78.56 165.98 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.523 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.99 -41.48 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.709 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.44 -37.71 87.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.739 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -63.84 -41.33 97.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.454 HG21 ' HE ' ' A' ' 106' ' ' ARG . 75.2 t -63.28 -45.48 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.308 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.06 -47.57 84.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.743 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' A' ' 127' ' ' GLU . 81.0 mm-40 -64.24 -37.14 86.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.27 -41.76 97.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.671 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -63.9 -43.73 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.411 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -60.98 -47.0 88.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.049 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.568 ' N ' ' OE1' ' A' ' 127' ' ' GLU . 0.3 OUTLIER -65.58 -40.66 92.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.982 179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.18 -28.69 48.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 40.4 t0 -75.14 106.77 6.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.484 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.3 mt -73.19 -33.06 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.586 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -80.61 -1.45 42.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.43 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.94 28.16 1.68 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.491 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 27.2 p30 -87.27 -4.93 59.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.584 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.95 -3.78 84.69 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.451 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 89.0 mt-30 -138.98 153.61 48.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.17 0.509 . . . . 0.0 110.443 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.2 t -101.06 126.32 54.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.016 0.436 . . . . 0.0 110.455 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -90.89 165.59 13.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.684 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.18 -50.33 74.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.227 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -61.16 -38.91 88.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.373 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.58 -37.36 68.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.614 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -60.42 -50.64 72.8 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.4 -48.34 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.346 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.38 -43.93 80.17 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 110.741 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.6 tmm? -58.34 -37.12 74.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.418 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 86.3 mmm -74.27 -34.91 63.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.126 0.489 . . . . 0.0 110.448 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.455 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' A' ' 85' ' ' ILE . 81.9 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.74 -36.52 76.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -65.85 -34.76 78.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.591 HD13 ' SD ' ' A' ' 145' ' ' MET . 71.1 mt -61.56 -48.07 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.676 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -61.97 -44.97 95.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.46 -40.55 85.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.491 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.29 85.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.356 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -61.72 -46.88 87.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.547 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.57 -48.07 83.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.48 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.13 -42.31 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.19 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -71.54 -22.16 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.335 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.47 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 37.0 t0 -87.87 69.53 9.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.942 0.401 . . . . 0.0 110.168 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -61.24 -41.37 96.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.47 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 40.0 p30 -79.39 -1.56 37.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 49.0 19.99 1.72 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.6 p-10 -70.1 -20.3 63.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.652 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 87.4 12.33 67.53 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -137.27 145.26 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.368 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.4 mm -104.04 121.78 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.619 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 12.1 t -105.22 179.34 4.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.338 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -54.13 -48.7 70.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.383 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.32 -46.6 69.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.143 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.38 -36.09 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.066 0.46 . . . . 0.0 110.366 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.25 -32.87 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.435 0.636 . . . . 0.0 110.655 -179.583 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -68.46 -38.93 81.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.666 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -55.88 -42.91 76.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.35 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.27 -47.03 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.624 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.09 -38.35 90.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.367 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.7 m -60.77 -42.58 97.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.32 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 57.4 t-20 -59.91 -35.82 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.311 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.37 -4.17 37.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.53 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.28 6.77 85.86 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -93.21 140.43 29.54 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -120.75 115.54 23.5 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.297 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.5 mt -117.9 161.05 20.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.393 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 121' ' ' VAL . 17.7 p -80.67 164.85 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.562 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 32.7 p-10 -63.59 -40.56 97.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.455 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 80.6 mm-40 -66.89 -43.16 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.84 -43.16 99.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.668 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 117' ' ' THR . 53.3 t -61.84 -47.16 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.376 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -61.8 -43.84 98.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.499 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.433 ' O ' ' OE2' ' A' ' 123' ' ' GLU . 1.9 tm-20 -67.89 -36.76 80.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.678 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -40.18 91.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.777 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -62.45 -42.56 96.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.391 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -57.95 -43.15 86.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.44 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.56 -43.96 88.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.23 -25.95 55.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.667 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 52.1 t0 -70.37 97.72 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.49 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.97 -41.87 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.416 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 16.5 m-20 -78.0 -0.41 27.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.313 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.46 27.67 1.31 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.536 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 34.2 p-10 -83.95 1.91 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.75 0.31 . . . . 0.0 110.431 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.471 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 75.4 -5.48 35.75 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 99.4 mm-40 -135.69 152.76 51.5 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.2 0.524 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.7 125.46 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -95.01 160.11 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.24 -49.04 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.424 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -61.9 -38.49 88.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.48 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.416 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 12.0 tt0 -71.23 -39.49 71.67 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 120.655 0.264 . . . . 0.0 110.567 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -61.27 -47.25 86.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.41 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.07 -47.21 90.78 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.272 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.13 -46.47 77.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.0 0.429 . . . . 0.0 110.572 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' A' ' 144' ' ' MET . 12.0 tmm? -57.54 -29.06 64.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.591 ' SD ' HD13 ' A' ' 85' ' ' ILE . 1.6 ptt? -61.82 -28.01 69.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.995 -177.681 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 55.3 mp0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.527 0.203 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.5 -38.43 89.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -65.17 -39.55 93.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.33 -47.12 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.621 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.08 -46.42 87.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.41 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.34 -42.56 79.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.533 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.11 74.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.419 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 61.2 t80 -58.38 -46.12 86.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.606 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -66.28 -47.8 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.676 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.22 -42.97 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.146 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -71.57 -20.08 62.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.45 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.522 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 22.9 m-20 -94.93 75.07 3.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.266 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -59.67 -38.0 80.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.659 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.586 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 22.0 p-10 -80.64 0.14 35.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.72 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.31 33.82 82.21 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.627 ' C ' ' H ' ' A' ' 99' ' ' TYR . 32.5 p-10 -92.15 120.44 32.75 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.556 -0.379 . . . . 0.0 110.651 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.82 -0.95 0.03 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.627 ' H ' ' C ' ' A' ' 97' ' ' ASN . 81.9 m-85 -127.9 149.77 50.16 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.424 0.631 . . . . 0.0 110.2 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -111.5 131.31 63.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.398 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 17.0 t -90.47 177.15 6.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.531 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.437 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -66.27 -46.93 75.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.704 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.51 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.074 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -68.12 -35.95 78.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.411 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.488 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.8 tt -63.38 -31.44 72.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.614 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.441 ' HE ' HG21 ' A' ' 121' ' ' VAL . 41.4 ttm180 -71.21 -34.36 70.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.613 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -55.36 -40.6 71.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.085 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.92 -45.67 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.503 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -63.01 -42.24 99.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.475 -179.594 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 m -62.62 -40.98 98.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.266 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -61.52 -37.46 83.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.69 -15.88 62.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.602 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.16 -14.95 39.98 Favored Glycine 0 N--CA 1.463 0.495 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 40.6 mp0 -84.1 132.37 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.393 . . . . 0.0 110.481 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.532 ' C ' HD12 ' A' ' 116' ' ' LEU . 88.5 tttt -115.05 113.58 24.24 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.047 0.451 . . . . 0.0 110.321 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.1 mp -105.24 142.67 34.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.5 p -75.92 171.18 14.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.438 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.17 -41.1 92.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.751 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -68.67 -40.28 80.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.752 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.93 -43.29 99.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.441 HG21 ' HE ' ' A' ' 106' ' ' ARG . 63.4 t -61.91 -46.07 97.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -61.36 -44.74 96.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.513 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.53 -38.89 81.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.67 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 124' ' ' MET . 1.6 tmt? -61.89 -47.81 83.32 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.3 mt -62.31 -45.01 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -60.54 -40.17 90.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.692 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -70.32 -33.82 71.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.013 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.46 -26.18 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 66.0 t0 -70.05 107.47 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.416 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.8 -44.62 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 15.9 p30 -89.7 6.02 43.28 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.04 38.53 2.6 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.548 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 47.9 p-10 -80.41 -4.51 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.478 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.61 -2.49 85.6 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.44 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 84.4 mt-30 -139.01 155.51 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 110.517 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.1 t -93.66 125.31 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.068 0.461 . . . . 0.0 110.368 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -97.67 166.09 11.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.507 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -59.87 -51.22 70.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.488 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -58.24 -39.0 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.496 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -74.86 -34.15 62.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -61.94 -51.26 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.056 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.09 -45.31 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.943 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.5 -46.89 81.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.806 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.9 ttp -63.07 -33.83 76.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.581 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.8 mmm -75.92 -38.21 57.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.626 -179.19 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 N--CA 1.46 0.04 0 CA-C-O 120.507 0.194 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.03 -36.82 80.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.743 0.306 . . . . 0.0 110.619 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 75.3 tt0 -64.52 -33.18 75.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.61 -48.39 88.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.613 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -65.95 -46.55 77.76 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.633 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.47 -47.55 69.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.707 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -56.3 -40.99 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.021 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CD1' HD11 ' A' ' 100' ' ' ILE . 71.6 t80 -58.67 -47.13 85.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.35 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -64.42 -48.38 75.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.77 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -61.81 -36.46 73.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.244 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -70.92 -23.68 62.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.27 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -97.64 79.47 2.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.819 0.342 . . . . 0.0 110.557 179.36 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -58.01 -36.74 73.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.505 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 26.2 p-10 -77.85 3.21 14.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.307 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.8 43.47 80.75 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.68 ' C ' ' H ' ' A' ' 99' ' ' TYR . 41.3 p-10 -108.29 128.94 55.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.357 0.598 . . . . 0.0 110.29 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.36 20.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.68 ' H ' ' C ' ' A' ' 97' ' ' ASN . 86.0 m-85 -142.72 144.44 32.68 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.062 0.458 . . . . 0.0 110.231 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 89' ' ' PHE . 93.1 mt -111.5 130.5 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.457 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -101.27 176.66 5.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.488 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.7 98.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.61 66.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.954 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -68.61 -35.64 77.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.938 0.399 . . . . 0.0 110.255 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp -60.16 -30.35 69.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -68.87 -37.13 78.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.852 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -56.36 -43.0 78.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.153 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.08 -46.76 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.376 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.514 ' SD ' ' N ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -65.21 -38.23 89.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.333 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -58.13 -39.95 80.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.217 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -57.33 -38.38 73.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.197 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.467 ' CD2' ' N ' ' A' ' 112' ' ' LEU . 4.1 mm? -74.67 -6.08 46.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.708 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.5 0.24 89.76 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -77.49 131.85 38.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.667 0.27 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -112.15 109.78 19.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.497 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.1 mt -112.17 149.88 31.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.206 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.8 p -76.47 169.94 17.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.435 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -63.06 -40.33 97.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.25 -36.52 84.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.593 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.25 -40.85 94.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.692 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.81 -44.05 93.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.401 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.14 -44.22 92.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.33 -41.64 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.549 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.4 mmm -61.79 -44.97 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.627 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 129' ' ' ASP . 3.6 mm -63.03 -51.9 65.93 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -58.53 -44.18 89.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.747 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.33 -34.8 79.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.4 -27.05 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 46.8 t0 -63.23 110.23 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.03 0.443 . . . . 0.0 110.458 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.03 -43.79 81.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.013 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.421 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 44.3 p30 -98.55 13.28 32.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -178.471 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.12 36.86 2.92 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.534 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 24.6 p-10 -79.1 -5.86 55.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.809 0.338 . . . . 0.0 110.711 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.65 -3.64 81.55 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.425 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 16.5 pt20 -151.36 169.17 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.44 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.6 t -102.25 122.38 54.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.473 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -91.5 164.02 13.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.417 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.85 -48.27 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.468 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.26 -41.33 84.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -75.13 -30.59 60.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.443 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.9 -49.23 78.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.223 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 66.4 t -57.99 -45.68 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.0 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -63.48 -47.81 80.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.479 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.6 ttp -60.51 -31.43 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 96.6 mmm -87.41 -30.76 20.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.005 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.547 -179.698 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.572 0.225 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -68.96 -39.57 79.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.07 -37.69 88.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.674 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.669 HD13 ' HG2' ' A' ' 145' ' ' MET . 81.2 mt -61.63 -44.55 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.485 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -60.36 -45.62 92.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.359 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.37 -37.9 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.557 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.9 81.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.512 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -56.53 -45.73 80.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.318 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -65.01 -45.34 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.505 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.8 t -61.35 -40.68 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.502 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.436 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 73.2 mm-40 -70.11 -25.46 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.488 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 51.7 t0 -89.28 66.17 7.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.571 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.53 -41.06 96.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.788 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.421 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 36.4 p30 -78.75 -3.41 44.19 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.69 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.1 21.3 45.75 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.421 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 32.1 p30 -67.32 -18.1 65.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.488 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 85.59 2.6 86.95 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -130.36 156.8 44.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.42 179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.4 mm -107.13 119.31 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.685 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.9 p -98.36 -179.57 4.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.605 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.73 93.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.483 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . . . -53.78 -44.83 70.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 31.2 mt-10 -72.06 -36.18 69.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.84 -31.92 73.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.033 0.444 . . . . 0.0 110.795 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 103' ' ' ALA . 86.3 mtm180 -71.29 -35.95 71.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.276 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.439 ' O ' ' OG1' ' A' ' 110' ' ' THR . 0.6 OUTLIER -55.53 -40.29 71.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.445 -179.509 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.93 -45.34 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.8 mmt -63.59 -38.53 91.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 43.9 p -63.59 -32.53 74.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -64.19 -40.73 96.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 112' ' ' LEU . 10.9 mp -71.85 -28.22 63.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.499 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.17 -10.64 43.74 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -70.58 138.61 51.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.492 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -120.79 112.76 19.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.62 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.4 mt -114.06 157.26 22.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.416 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.1 p -77.01 168.12 20.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.96 -39.62 95.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.713 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -66.39 -36.21 82.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -64.72 -37.1 86.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.22 -45.53 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.17 -48.77 80.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.82 -41.77 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 82.6 mtp -62.41 -42.71 99.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.469 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.42 -44.75 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.805 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -63.29 -48.64 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.205 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -67.8 -33.84 75.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.827 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.78 -28.42 33.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.624 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 68.3 t0 -69.92 111.68 5.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.423 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 82.3 mt -68.3 -44.53 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.507 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 34.7 p30 -92.13 9.74 32.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.29 37.01 1.51 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.604 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 51.5 p-10 -82.89 -1.48 52.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.785 0.326 . . . . 0.0 110.496 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.9 -9.77 10.73 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.472 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 68.0 mm-40 -131.92 144.85 51.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.474 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 t -100.7 120.47 50.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.522 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.662 ' ND2' ' H ' ' A' ' 137' ' ' ASN . 0.2 OUTLIER -95.32 172.13 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.22 -42.61 99.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.675 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -63.57 -45.25 91.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.701 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -75.25 -35.99 61.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.614 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -61.2 -49.93 75.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.711 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.24 -47.81 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.391 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.63 -48.97 65.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.7 ttp -57.99 -30.51 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.282 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.669 ' HG2' HD13 ' A' ' 85' ' ' ILE . 2.9 tpt -66.57 -46.39 76.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.772 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.665 -179.112 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 82' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.173 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -66.7 -44.3 82.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -61.96 -38.93 90.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.671 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.98 -43.61 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.41 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.62 -44.79 95.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.313 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.61 -39.72 84.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.84 75.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.392 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.456 ' CD2' ' CE2' ' A' ' 138' ' ' TYR . 76.8 t80 -60.78 -47.6 85.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -64.42 -46.55 82.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.49 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.0 -42.21 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.215 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -71.48 -18.41 62.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.335 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -91.16 78.35 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.379 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -60.15 -38.95 84.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.521 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.442 ' C ' ' N ' ' A' ' 97' ' ' ASN . 11.5 m-20 -78.18 -2.77 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.193 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 44.53 19.96 0.18 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 95' ' ' ASP . 43.0 p30 -74.6 -15.13 60.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.493 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.76 16.2 58.6 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -138.32 143.43 39.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 110.425 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.6 mm -105.25 115.22 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.232 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -98.43 179.99 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -47.02 79.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.616 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.23 -45.9 68.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.202 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.87 -35.21 74.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.033 0.444 . . . . 0.0 110.053 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.66 -30.97 72.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.532 . . . . 0.0 110.546 -179.64 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.39 -38.22 90.28 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.387 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -55.41 -42.34 73.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.156 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.09 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.3 mtm -63.23 -41.05 99.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.2 p -62.66 -37.22 85.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 56.2 t-20 -64.53 -38.72 91.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.386 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.0 mt -71.61 -26.13 62.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.71 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.03 -9.73 70.19 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -73.86 141.96 46.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.691 0.282 . . . . 0.0 110.429 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -110.21 106.94 16.55 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.77 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.63 153.72 29.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.453 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.2 p -81.03 167.25 19.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.556 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.32 -38.07 88.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.604 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.01 -39.1 92.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.371 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.44 -39.17 93.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.84 -44.73 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.21 -44.23 92.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 0.0 110.421 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.419 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 81.9 tt0 -64.23 -38.64 91.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.486 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.2 ttm -61.42 -45.91 92.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.505 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.462 HD11 ' HG ' ' A' ' 105' ' ' LEU . 40.3 mm -63.7 -45.77 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.791 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 123' ' ' GLU . 88.8 mtm180 -59.0 -43.51 91.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.867 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -63.72 -35.35 80.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.746 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.28 -22.45 26.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.69 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 42.9 t0 -71.93 104.55 3.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.279 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.4 mm -68.08 -43.73 85.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.848 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 17.6 p-10 -92.63 9.62 33.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.73 41.05 4.2 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 35.4 p-10 -84.46 -1.4 55.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.728 0.299 . . . . 0.0 110.55 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 80.67 -5.2 65.68 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 87.9 mt-30 -138.97 155.13 48.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.9 t -92.7 129.1 43.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.497 ' ND2' ' OE2' ' A' ' 140' ' ' GLU . 86.3 m-20 -97.33 158.49 15.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.395 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CE2' ' CD2' ' A' ' 89' ' ' PHE . 1.4 t80 -57.12 -53.04 62.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.522 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 54.6 mp0 -58.03 -36.46 72.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.197 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.497 ' OE2' ' ND2' ' A' ' 137' ' ' ASN . 38.6 mt-10 -73.61 -36.52 65.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.97 -50.02 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.524 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.42 -45.73 89.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.142 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -65.14 -45.2 85.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.29 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.46 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.5 tmm? -58.31 -32.26 68.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.272 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.4 mmm -88.25 -30.86 19.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.684 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.394 . . . . 0.0 110.56 -179.68 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.805 0.336 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.24 -34.88 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.546 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.88 -34.13 77.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.522 HG23 ' SD ' ' A' ' 145' ' ' MET . 95.3 mt -62.28 -42.87 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -56.93 -44.19 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.437 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.39 -36.38 81.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.542 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.17 86.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -60.87 -44.69 96.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.496 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -58.73 -45.58 89.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.63 -41.25 90.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.296 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -72.14 -28.15 63.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.449 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -86.23 75.93 9.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.5 -41.42 94.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.481 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 97' ' ' ASN . 12.2 m-20 -78.79 -1.84 36.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.3 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.81 19.84 0.07 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 95' ' ' ASP . 30.5 p-10 -75.09 -9.85 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.499 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.87 11.8 64.92 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.26 142.76 47.44 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.987 0.423 . . . . 0.0 110.609 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -104.99 116.31 48.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 121.056 0.455 . . . . 0.0 110.15 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -93.66 179.85 5.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.687 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.24 95.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.439 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.14 -48.37 70.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.223 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.07 -35.89 78.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.278 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.39 -29.49 69.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.043 0.449 . . . . 0.0 110.605 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -69.67 -42.36 74.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.902 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.411 ' O ' ' OG1' ' A' ' 110' ' ' THR . 70.4 m-70 -56.0 -41.87 75.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.58 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.591 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 62.1 mtt -63.93 -40.57 96.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 25.8 p -62.09 -40.73 96.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.478 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -63.19 -39.11 93.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.07 -9.32 58.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.506 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 93.45 -16.35 60.86 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -69.92 125.29 26.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.488 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -121.71 112.97 19.06 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.0 mt -114.18 162.97 15.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.458 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 118' ' ' ASP . 7.0 m -76.41 164.06 26.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.372 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.465 ' N ' HG22 ' A' ' 117' ' ' THR . 53.7 t0 -62.07 -39.79 93.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.788 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.87 -36.51 80.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.11 -42.45 93.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.689 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.63 -45.84 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.99 -43.98 91.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.513 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -67.79 -38.42 83.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mmm -62.29 -42.58 99.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.719 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.8 mt -62.86 -45.38 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -62.19 -43.6 98.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.729 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.31 -40.47 81.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.67 -27.07 45.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.795 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 39.9 t0 -70.47 106.12 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.574 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.06 -41.83 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.803 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 17.1 m-20 -79.81 1.96 24.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.546 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.62 25.52 0.32 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.532 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 33.8 p-10 -82.32 -1.31 49.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.597 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.93 -2.37 83.86 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.439 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 94.2 mt-30 -140.86 158.66 43.63 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.018 0.437 . . . . 0.0 110.491 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.84 127.98 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 121.082 0.467 . . . . 0.0 110.375 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -93.16 170.27 9.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -60.43 -50.67 72.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.437 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.32 -39.0 91.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.623 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.412 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 5.6 tt0 -69.12 -38.48 78.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.65 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.8 -47.43 85.75 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.989 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 77.7 t -57.57 -47.31 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.39 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.75 -43.81 83.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 83.5 mtp -59.65 -36.84 77.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.522 ' SD ' HG23 ' A' ' 85' ' ' ILE . 2.6 ttt -77.09 -28.64 54.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.654 -179.767 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.711 0.291 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.99 -38.16 90.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.692 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -64.45 -33.1 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.439 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.82 -44.46 99.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.441 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.94 -46.83 82.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.588 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.41 -43.12 82.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.62 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.92 80.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.306 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.16 -46.3 90.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -62.73 -45.75 91.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.57 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.34 -39.2 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.331 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.01 -25.06 62.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.224 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 28.6 t0 -85.24 85.6 7.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 0.0 110.56 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -60.83 -43.51 98.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.743 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ASN . 18.7 m-20 -79.57 -1.09 36.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.206 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.04 20.25 0.08 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 95' ' ' ASP . 39.0 p-10 -78.12 -4.03 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 0.0 110.508 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.512 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 83.89 15.49 70.05 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -139.98 146.46 39.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.61 0.243 . . . . 0.0 110.377 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.3 mm -109.47 121.48 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.269 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -99.48 179.73 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.401 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.45 -46.75 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.363 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.66 -49.04 66.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.097 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.7 -37.72 82.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.073 0.463 . . . . 0.0 110.253 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.59 -30.39 71.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.818 0.818 . . . . 0.0 110.357 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 110' ' ' THR . 61.7 ttp180 -73.39 -45.02 57.25 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.551 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -61.66 -45.07 95.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.239 0.542 . . . . 0.0 110.942 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 109' ' ' MET . 5.8 p -69.86 -43.21 79.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.554 ' SD ' HD12 ' A' ' 116' ' ' LEU . 20.6 ttm -69.83 -48.14 60.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.307 -178.727 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 106' ' ' ARG . 5.4 t -62.51 -32.05 72.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.566 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -62.89 -28.72 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.116 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mt -78.35 -3.69 44.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.688 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.97 52.44 2.77 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -141.66 126.75 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.42 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -109.69 106.08 15.59 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.26 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.554 HD12 ' SD ' ' A' ' 109' ' ' MET . 47.0 mt -118.22 159.12 23.87 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.287 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.433 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 7.3 p -82.12 168.26 17.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.3 p-10 -63.8 -38.98 93.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.506 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.5 mt-10 -67.07 -37.92 84.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.62 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -64.91 -43.7 91.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.69 -44.92 99.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.449 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -60.33 -45.72 92.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -66.75 -39.94 88.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.9 ttt -60.91 -46.81 89.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.68 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.07 -43.59 97.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.452 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -61.75 -44.66 96.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.449 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -71.25 -36.37 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.21 65.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.76 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 67.8 t0 -76.32 128.92 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.673 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.4 ' N ' ' OD1' ' A' ' 129' ' ' ASP . 35.6 mm -66.84 -44.69 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 17.6 p30 -90.0 13.27 15.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.82 43.23 4.11 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.422 ' OD2' ' CG ' ' A' ' 131' ' ' ASP . 94.4 m-20 -84.15 -3.6 58.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.699 0.285 . . . . 0.0 110.405 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.08 -4.9 52.76 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -135.15 148.9 49.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.809 0.338 . . . . 0.0 110.095 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.9 t -108.09 121.62 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.361 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 4.8 p-10 -96.97 -175.92 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.365 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -61.2 -46.62 89.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.23 -42.93 99.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 93.9 mt-10 -73.09 -38.19 66.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.49 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 79.6 t80 -61.18 -52.12 66.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.442 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.0 t -58.46 -47.1 89.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -66.16 -44.16 84.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.805 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.2 tmm? -56.81 -34.93 68.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.426 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 32.7 mtt -92.53 -32.57 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.722 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 110.431 -179.707 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.583 0.23 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' A' ' 87' ' ' GLU . 96.3 mt-10 -63.37 -41.82 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.763 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -62.51 -38.6 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.737 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.584 HG23 ' SD ' ' A' ' 145' ' ' MET . 95.1 mt -64.36 -44.87 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -58.51 -44.73 89.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.341 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.5 OUTLIER -67.7 -37.14 81.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 179.466 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.73 88.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.556 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.37 -45.03 84.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.47 -44.83 96.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.611 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.37 -40.64 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 96.6 mt-10 -70.48 -24.96 62.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.462 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.514 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.4 t0 -90.24 69.82 7.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.362 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 95' ' ' ASP . 59.6 pttt -62.27 -42.09 99.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 37.8 p-10 -79.79 -2.44 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.471 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.41 20.77 46.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.5 p-10 -68.74 -25.04 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 87.85 20.5 50.2 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.511 ' C ' HD12 ' A' ' 100' ' ' ILE . 58.8 m-85 -145.92 149.55 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.347 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.598 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.7 mp -101.9 115.81 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.23 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 15.3 t -96.52 179.99 4.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.716 179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -57.71 -48.36 79.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.515 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.08 74.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.271 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 45.3 mt-10 -71.51 -38.62 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.04 -31.81 73.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -69.79 -38.86 76.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.609 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.16 -43.16 78.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.328 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.98 -47.81 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.578 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 52.3 mtt -65.89 -40.49 91.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 m -63.25 -42.14 99.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.41 -36.12 77.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.439 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.09 -11.68 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.673 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.79 -21.43 45.01 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.47 132.03 46.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.445 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.431 ' C ' HD12 ' A' ' 116' ' ' LEU . 34.8 pttt -113.52 110.83 20.91 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.093 0.473 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.8 mp -107.07 146.48 31.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 121' ' ' VAL . 20.0 p -75.04 166.13 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.392 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 38.7 p-10 -64.26 -38.79 92.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.517 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.3 mt-10 -68.36 -39.13 81.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.787 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.07 -38.84 92.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 117' ' ' THR . 67.4 t -62.91 -46.02 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.377 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -60.45 -45.02 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -68.49 -38.75 81.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.637 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 124' ' ' MET . 2.0 tmt? -61.35 -45.07 95.94 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -62.86 -44.47 99.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.509 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.95 -44.95 91.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.793 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.58 -32.58 68.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.445 ' O ' ' CE ' ' A' ' 144' ' ' MET . . . -84.54 -29.54 25.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.537 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 37.3 t0 -72.54 106.93 4.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.618 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.0 mt -69.21 -40.3 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.561 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.53 -2.67 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.245 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.4 30.11 1.94 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.537 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 30.0 p-10 -86.49 -3.34 59.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.527 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.42 -3.38 85.04 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -140.11 156.12 46.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.07 0.462 . . . . 0.0 110.302 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.1 t -99.04 130.49 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.437 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 22.7 t-20 -96.53 165.21 12.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.435 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.445 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 83.7 t80 -59.39 -50.73 72.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.249 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.02 -38.41 86.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -70.34 -40.78 73.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 120.738 0.304 . . . . 0.0 110.5 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.35 -49.09 78.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.36 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.21 -47.76 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.178 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -65.6 -45.2 84.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.492 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.445 ' CE ' ' O ' ' A' ' 128' ' ' ALA . 39.8 ttm -61.84 -33.87 74.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.394 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.584 ' SD ' HG23 ' A' ' 85' ' ' ILE . 3.1 ttt -78.09 -35.41 49.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 82' ' ' GLU . 2.7 pm0 . . . . . 0 CA--C 1.525 -0.016 0 CA-C-O 120.822 0.344 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.02 -39.0 93.11 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -66.42 -33.02 74.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.458 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.29 -49.73 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.423 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -64.63 -45.94 84.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.705 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -64.24 -47.83 78.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.565 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.419 ' O ' ' OE2' ' A' ' 92' ' ' GLU . . . -57.95 -41.48 82.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.365 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 72.7 t80 -56.76 -45.37 82.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.342 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -63.52 -43.69 96.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.929 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.17 -42.01 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.042 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -70.29 -21.24 62.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.196 -179.687 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 97.3 m-20 -91.82 69.84 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.318 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.66 -40.94 93.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 35.2 p-10 -80.17 -2.41 44.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.435 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.49 20.81 52.75 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 49.6 p-10 -69.23 -25.45 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.6 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 83.64 24.88 48.59 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -143.33 143.94 31.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.915 0.388 . . . . 0.0 110.521 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 mm -99.51 110.79 27.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.081 0.467 . . . . 0.0 110.486 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 p -96.69 178.26 5.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.529 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.9 80.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.409 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.0 -47.38 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.341 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.65 -40.27 76.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.505 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.489 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.7 tp -65.2 -31.85 73.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -69.3 -42.54 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.981 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -56.19 -41.66 75.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.295 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.22 -45.35 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.436 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.598 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.99 -39.67 95.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.6 m -63.52 -41.09 98.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.261 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.51 -36.96 82.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.187 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.3 mt -76.04 -3.33 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.69 28.11 30.31 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -124.39 142.39 51.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.922 0.391 . . . . 0.0 110.391 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -131.94 120.88 23.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 mt -115.28 158.24 22.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.441 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 118' ' ' ASP . 6.5 m -75.4 166.31 23.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.455 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.484 ' N ' HG22 ' A' ' 117' ' ' THR . 96.6 m-20 -63.13 -41.56 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.611 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.19 -36.73 77.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.576 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.98 -41.19 95.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.53 -45.69 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.467 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.18 -47.23 84.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.449 ' O ' ' OE2' ' A' ' 127' ' ' GLU . 80.1 mm-40 -67.14 -39.56 86.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.19 -44.19 92.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.534 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.2 mt -63.2 -43.33 98.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.381 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -60.12 -45.55 92.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.57 ' N ' ' OE1' ' A' ' 127' ' ' GLU . 0.4 OUTLIER -68.64 -34.33 75.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.746 179.786 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.22 -30.66 27.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.72 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.552 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 64.9 t0 -67.41 115.56 7.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.1 -43.79 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.463 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 13.6 p30 -89.72 5.08 47.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.568 -179.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.7 38.66 3.19 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.552 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.2 p-10 -87.35 -5.26 58.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.295 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.87 -6.74 61.25 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.503 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 77.9 mt-30 -137.11 150.39 47.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.9 t -102.83 122.22 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.96 0.409 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.52 172.2 8.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.634 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.417 ' O ' HG23 ' A' ' 142' ' ' VAL . 90.6 t80 -59.48 -48.0 83.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.488 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -63.84 -43.06 97.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.689 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -68.93 -38.81 79.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.708 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -60.88 -48.28 82.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.216 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 138' ' ' TYR . 78.5 t -57.37 -44.47 84.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.148 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.1 -46.58 80.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.603 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.6 ttm -58.51 -33.02 69.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.216 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 82.8 mmm -81.25 -33.01 33.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.804 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 146' ' ' THR . 88.4 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.727 0.298 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.46 -35.33 80.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.645 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.94 -36.23 82.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.475 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.0 mt -64.38 -42.84 96.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.429 ' NH1' ' OH ' ' A' ' 138' ' ' TYR . 91.5 mtt-85 -61.68 -43.33 99.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.733 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.454 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 98.5 mt-10 -66.91 -41.25 87.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.86 -40.48 72.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.058 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.13 -45.0 83.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.312 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 87' ' ' GLU . 86.0 mtm180 -59.94 -45.34 92.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.394 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.2 t -58.21 -41.03 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -72.5 -21.1 61.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.449 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 36.0 t0 -100.45 66.04 1.24 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.245 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -60.56 -37.5 81.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -78.97 4.07 15.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.13 24.76 67.46 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.655 HD22 ' HB2' ' A' ' 99' ' ' TYR . 5.8 t30 -86.45 118.86 26.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.338 0.59 . . . . 0.0 109.834 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.2 1.26 0.03 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.655 ' HB2' HD22 ' A' ' 97' ' ' ASN . 64.2 m-85 -128.42 143.25 50.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.056 0.455 . . . . 0.0 110.449 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -101.57 123.48 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.434 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -96.55 179.82 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.35 91.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.632 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.82 -49.38 65.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.462 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -66.24 -37.16 84.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.316 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.487 ' O ' HG12 ' A' ' 108' ' ' VAL . 47.5 tp -62.46 -31.35 72.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.235 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -73.96 -31.51 63.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 0.0 110.59 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -58.26 -42.22 85.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.782 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 105' ' ' LEU . 0.8 OUTLIER -65.49 -40.33 87.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.447 ' SD ' HD12 ' A' ' 116' ' ' LEU . 61.0 mtt -68.95 -37.34 78.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.207 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.4 m -59.17 -24.81 63.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.485 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 57.2 t-20 -56.98 -30.87 64.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.75 -33.41 70.77 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 120.734 0.302 . . . . 0.0 110.459 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.54 19.29 11.42 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -129.36 113.17 14.63 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.784 0.326 . . . . 0.0 110.275 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -82.41 139.15 34.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.447 HD12 ' SD ' ' A' ' 109' ' ' MET . 65.2 mt -108.6 163.49 13.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.369 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 118' ' ' ASP . 4.8 m -77.2 164.28 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.514 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.434 ' N ' HG22 ' A' ' 117' ' ' THR . 68.2 t0 -66.23 -41.15 90.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.67 -38.23 86.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -61.09 -45.09 96.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.793 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.3 -45.32 99.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -58.3 -48.46 80.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.939 0.399 . . . . 0.0 110.701 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.58 -39.65 88.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.5 tpt -60.28 -46.16 90.8 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.59 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -63.26 -43.17 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.295 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -60.09 -42.72 95.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.005 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.47 -39.11 85.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.3 -24.85 29.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.715 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 125' ' ' ILE . 42.0 t0 -78.23 100.8 6.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.57 -26.12 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.408 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -84.18 -1.42 55.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.457 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.21 25.84 0.47 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.449 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 31.5 p30 -90.69 -5.6 55.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.628 0.251 . . . . 0.0 110.568 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.56 2.57 69.37 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.523 ' NE2' ' CG ' ' A' ' 99' ' ' TYR . 53.1 tt0 -129.25 143.05 50.71 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.229 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -98.73 122.6 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.264 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -95.42 161.99 13.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.543 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.429 ' OH ' ' NH1' ' A' ' 86' ' ' ARG . 79.2 t80 -59.42 -49.15 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.407 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 45.7 mp0 -60.89 -39.92 91.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.452 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -71.02 -37.53 72.61 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.68 0.276 . . . . 0.0 110.504 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -60.91 -48.47 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.502 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.34 -45.07 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.169 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -63.63 -47.56 80.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 110.733 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 61.8 ttp -58.95 -30.81 68.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.333 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 80.6 mmm -87.67 -32.95 18.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.524 -179.822 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 56.2 mp0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.698 0.285 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -64.42 -37.97 89.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.76 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -66.03 -36.03 82.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.463 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.5 -43.85 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.432 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' A' ' 82' ' ' GLU . 83.4 mtt85 -61.23 -43.51 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.558 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -65.92 -43.62 87.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.43 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.87 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.425 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.48 -46.46 90.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.367 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' A' ' 90' ' ' ARG . 59.4 ttm-85 -63.7 -47.09 82.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.384 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.57 -41.12 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.207 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 104' ' ' GLU . 45.0 tp10 -71.23 -23.83 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.332 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -87.01 77.86 9.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.481 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -60.69 -41.89 96.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.664 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 97' ' ' ASN . 7.9 m-20 -77.65 -2.46 36.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.333 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.26 21.55 0.74 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' ASP . 27.5 p-10 -78.18 -10.34 59.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 110.606 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.63 21.52 57.87 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -142.92 146.3 33.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.382 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.9 mm -109.68 122.27 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.996 0.426 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 11.3 t -97.97 179.71 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.426 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.489 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -57.37 -47.08 82.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.551 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.56 -49.01 73.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.55 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' A' ' 92' ' ' GLU . 41.7 mt-10 -71.46 -40.35 70.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.06 -33.14 74.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -71.26 -34.65 70.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.462 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -55.7 -41.04 73.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.173 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.66 -45.69 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.3 mmt -61.94 -37.74 85.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.531 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 m -57.56 -39.4 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -58.45 -37.19 74.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 112' ' ' LEU . 11.2 mp -69.82 -31.35 69.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.401 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.19 30.11 5.8 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -108.93 133.23 53.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.088 0.471 . . . . 0.0 110.214 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -103.77 107.13 17.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.6 mt -110.87 145.9 37.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.1 p -77.04 169.2 18.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.407 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 39.2 p-10 -62.94 -41.41 99.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 79.4 tt0 -68.91 -40.06 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.657 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -61.71 -40.96 96.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.26 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.37 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.45 -49.1 79.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.499 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.57 -36.6 83.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.726 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 tpp -59.39 -39.55 83.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.96 0.409 . . . . 0.0 110.355 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -67.11 -42.49 88.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.63 -47.01 85.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.391 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.57 -34.09 77.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.46 -28.2 31.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.549 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 42.9 t0 -67.5 110.05 3.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.235 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.9 mt -70.43 -44.34 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.981 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.468 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 32.2 p30 -93.28 8.48 40.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.705 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.19 45.44 6.32 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.56 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 36.3 p-10 -92.62 0.28 57.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.508 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.406 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 75.48 -10.77 10.93 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.423 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 88.0 mt-30 -136.55 150.93 48.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.448 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.1 t -95.88 124.19 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.079 0.466 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -92.41 162.09 14.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.38 -49.96 75.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.343 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.48 -39.03 82.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.458 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.67 -33.84 64.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.693 0.282 . . . . 0.0 110.451 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.5 -50.0 73.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.399 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.98 -47.37 90.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.234 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.53 -47.46 72.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.009 0.433 . . . . 0.0 110.752 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 144' ' ' MET . 12.5 tmm? -60.26 -32.6 71.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.3 mmm -74.78 -39.45 61.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 146' ' ' THR . 86.2 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.616 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.575 0.226 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -63.59 -36.7 84.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.558 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -64.29 -34.43 78.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.419 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.1 mm -61.82 -46.51 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.498 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -63.19 -44.18 96.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 91' ' ' VAL . 94.2 mt-10 -67.37 -44.56 78.66 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 121.182 0.515 . . . . 0.0 110.477 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.452 ' O ' ' OE1' ' A' ' 92' ' ' GLU . . . -63.06 -48.3 79.26 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.92 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -55.64 -55.22 34.63 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.521 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 91' ' ' VAL . 14.7 ptm180 -63.44 -44.62 94.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 0.0 111.093 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.2 t -58.23 -41.37 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 92' ' ' GLU . 1.2 mp0 -71.87 -17.14 62.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.282 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 15.4 t0 -85.36 83.03 8.09 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.241 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.02 -45.13 93.79 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 120.801 0.334 . . . . 0.0 111.069 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.54 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 25.1 p-10 -81.23 -1.78 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . 0.545 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 51.11 22.74 6.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.54 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 44.4 p-10 -72.16 -11.23 60.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.532 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 81.74 23.5 57.78 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -143.05 145.16 32.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.867 0.365 . . . . 0.0 110.479 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -104.17 119.68 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.317 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.5 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 8.2 t -109.03 179.06 4.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.467 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ALA . . . . . 0.5 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -54.28 -44.79 72.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.04 -48.5 70.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.208 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.25 -36.84 69.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.923 0.392 . . . . 0.0 110.449 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -62.36 -31.35 71.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.243 0.544 . . . . 0.0 110.008 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -65.68 -39.35 91.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -54.66 -41.55 70.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.213 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 88.9 t -66.1 -44.44 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.431 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.445 ' SD ' HD12 ' A' ' 116' ' ' LEU . 57.7 mtt -63.73 -41.84 97.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.35 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.7 m -60.51 -40.33 91.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.11 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -58.53 -31.75 68.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.279 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.3 -20.39 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.33 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.46 22.28 44.58 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -139.52 104.39 4.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.894 0.378 . . . . 0.0 110.45 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -82.43 140.62 33.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.324 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.445 HD12 ' SD ' ' A' ' 109' ' ' MET . 49.1 mt -112.35 163.08 14.83 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -75.45 164.36 26.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.522 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.49 -40.71 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.4 mp0 -67.27 -38.33 84.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.688 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -61.42 -45.68 93.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.89 -45.98 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.575 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -58.65 -48.96 79.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.768 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.27 -36.84 84.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.688 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ttt -61.86 -41.08 97.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.487 . . . . 0.0 110.511 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 129' ' ' ASP . 97.1 mt -67.32 -42.85 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.988 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.87 -44.99 95.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.608 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.73 -30.63 64.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.06 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.64 -29.78 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.714 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.553 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 62.9 t0 -65.97 115.66 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.5 mt -70.18 -44.05 78.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.453 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 18.6 p30 -91.28 7.71 39.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.659 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.96 37.1 2.06 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.553 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 46.8 p-10 -85.2 -2.37 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.478 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.7 -6.41 54.05 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.502 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 14.0 tt0 -131.85 144.95 51.26 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.213 0.53 . . . . 0.0 110.511 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.72 124.24 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -98.17 170.75 8.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.701 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -61.52 -47.54 85.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.55 -40.85 88.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.67 -43.73 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.453 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -60.84 -50.59 72.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.267 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.25 -43.76 86.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.949 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -61.01 -48.9 79.67 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.472 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.9 mtm -65.18 -34.56 78.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.012 0.434 . . . . 0.0 110.533 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.25 -39.65 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 146' ' ' THR . 34.6 m . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.781 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.685 0.278 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.89 -38.57 91.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.716 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.47 -32.4 73.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.758 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.74 -45.99 96.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.464 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.91 -44.9 91.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.386 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.67 -36.65 81.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.567 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.64 86.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -56.45 -44.08 80.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.26 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -55.76 -45.01 78.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.231 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 93' ' ' ASP . 94.5 t -66.48 -42.1 89.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.419 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -72.99 13.73 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.415 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 91' ' ' VAL . 4.3 m-20 -149.88 65.31 0.98 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.025 0.44 . . . . 0.0 110.686 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -58.53 -32.06 68.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -77.89 -1.0 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.582 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.59 30.95 79.31 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.6 ' C ' ' H ' ' A' ' 99' ' ' TYR . 3.3 t-20 -89.01 117.26 27.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.232 0.539 . . . . 0.0 110.43 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.03 -0.51 0.05 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.6 ' H ' ' C ' ' A' ' 97' ' ' ASN . 91.0 m-85 -129.82 149.88 51.36 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.9 mt -107.11 127.29 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.333 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.4 p -101.28 179.37 4.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.392 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.21 92.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.716 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.44 -47.29 66.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.141 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -70.57 -34.38 72.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.004 0.43 . . . . 0.0 109.978 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.61 -32.57 73.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.269 0.556 . . . . 0.0 110.384 -179.615 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.96 -35.48 80.81 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.729 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' HIS . . . . . 0.446 ' O ' ' OG1' ' A' ' 110' ' ' THR . 28.1 m170 -54.42 -40.35 68.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.917 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.73 -44.74 94.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.225 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -61.83 -40.4 95.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.538 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 69.1 p -63.09 -33.04 74.59 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.487 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -64.06 -41.82 97.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.555 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 112' ' ' LEU . 11.0 mp -72.06 -30.88 65.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.06 -14.7 44.39 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.71 145.05 52.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.673 0.273 . . . . 0.0 110.314 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -115.96 113.42 23.25 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.982 0.42 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.6 mt -118.22 158.85 24.37 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.211 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.9 p -83.5 167.68 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.388 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.61 -40.61 97.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.743 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.49 -39.24 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.62 -38.88 92.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.55 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.82 -46.94 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.435 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.28 -46.1 91.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.32 -36.87 82.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.579 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 37.7 tpp -61.61 -45.14 95.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.441 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.8 mt -63.33 -42.97 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.3 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -56.92 -42.1 79.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.462 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.25 -36.29 83.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.564 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.78 -24.06 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 50.1 t0 -62.0 111.42 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.358 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 mm -68.53 -44.53 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.253 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 39.6 p30 -98.2 14.36 28.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.991 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.46 35.15 1.86 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.536 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.4 p-10 -80.11 -1.52 40.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.655 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 79.28 -3.07 68.13 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.464 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 98.8 mt-30 -140.22 157.34 45.74 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 110.329 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.9 t -98.68 122.09 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.147 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -91.92 161.15 14.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.362 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -59.3 -50.22 74.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.35 -37.89 79.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.39 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.418 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 39.3 mt-10 -75.28 -32.69 61.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.93 -47.79 84.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.394 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.41 -45.93 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.001 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 77.7 mm-40 -65.55 -45.24 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.523 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 52.8 ttm -59.12 -32.88 70.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.301 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 17.8 tpp -86.65 -33.52 20.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 146' ' ' THR . 8.9 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 110.682 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.725 0.298 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.38 -40.85 98.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.769 -178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -58.48 -31.32 67.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.0 mm -59.39 -43.7 90.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.15 -46.41 90.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.63 -36.84 76.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.42 -43.83 84.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.532 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -56.79 -43.9 81.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -58.28 -45.35 88.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' A' ' 93' ' ' ASP . 94.8 t -69.64 -41.0 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.666 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 97.4 mt-10 -73.45 10.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 91' ' ' VAL . 43.8 t0 -130.87 68.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.671 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.24 -40.11 89.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.609 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 97' ' ' ASN . 5.2 m-20 -76.01 -2.73 32.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.281 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.15 19.89 0.45 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 9.9 p-10 -73.17 -12.76 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.377 . . . . 0.0 110.562 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.02 15.57 62.58 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.49 ' C ' HD12 ' A' ' 100' ' ' ILE . 96.3 m-85 -138.97 143.24 38.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.555 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.51 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.5 mp -101.08 121.13 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.3 p -98.3 179.42 4.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.623 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.08 83.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.616 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.92 -48.56 60.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.274 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 16.4 mt-10 -64.35 -35.48 81.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.473 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.1 -31.33 72.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.463 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -69.01 -42.01 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.027 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -56.05 -41.27 74.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.438 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.3 t -65.33 -49.02 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.646 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 84.7 mmm -65.52 -39.02 91.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.9 m -57.2 -37.61 72.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.446 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -59.65 -40.74 88.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 112' ' ' LEU . 10.9 mp -72.81 -8.2 54.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.4 -2.68 83.37 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -69.68 123.63 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -102.62 106.79 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.538 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.7 mt -118.28 157.12 27.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.485 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.0 p -86.34 167.69 14.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.629 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.18 -36.69 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.34 -39.89 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.55 -44.45 96.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.88 -47.02 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.478 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -58.53 -47.69 83.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.55 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.87 -38.2 85.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.0 tpt -61.7 -40.35 94.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' ASP . 4.7 mm -64.02 -44.41 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.702 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -59.13 -41.48 88.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.92 -40.02 79.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.07 -26.2 48.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.58 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 60.6 t0 -63.23 112.56 2.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.647 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.432 HD12 ' HG2' ' A' ' 140' ' ' GLU . 42.2 mt -69.89 -44.05 79.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 16.4 p30 -89.99 8.24 33.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.674 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.98 38.59 2.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.58 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.1 p-10 -89.71 0.61 56.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 110.622 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 83.2 -0.77 89.55 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.49 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 87.5 mt-30 -139.6 159.48 42.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 0.0 110.516 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.1 t -108.54 129.97 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.369 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -94.17 174.01 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.551 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -60.72 -49.59 76.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 139' ' ' GLU . 56.4 mp0 -61.78 -36.73 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.432 ' HG2' HD12 ' A' ' 130' ' ' ILE . 27.1 mt-10 -66.47 -44.63 82.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.675 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.1 -47.71 83.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.9 -46.73 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.107 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.54 -44.25 82.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.599 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.8 ttm -59.42 -38.33 80.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.46 -42.46 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.653 ' O ' HG22 ' A' ' 146' ' ' THR . 49.3 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.57 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.6 m -58.97 -41.84 88.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.948 0.404 . . . . 0.0 110.561 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -126.21 121.2 32.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.601 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.65 ' CG ' ' H ' ' A' ' 60' ' ' HIS . 18.1 t-80 -151.19 -134.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.459 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.65 ' H ' ' CG ' ' A' ' 59' ' ' HIS . 52.1 t-80 43.37 71.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.457 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -96.68 7.18 47.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -72.2 146.09 47.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.632 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -59.5 -44.89 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.27 170.67 3.73 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 m -90.19 -9.17 49.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.321 . . . . 0.0 110.639 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.1 t -67.47 142.94 56.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.13 -37.25 92.86 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 53.72 29.5 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.785 0.326 . . . . 0.0 110.576 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -64.63 -34.78 79.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.461 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.593 ' N ' HD12 ' A' ' 70' ' ' LEU . 10.1 mp -61.14 -19.04 61.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.46 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.12 -41.52 88.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.585 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -62.7 -37.09 85.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.747 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.9 t -59.51 -40.84 88.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.679 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.32 -41.38 98.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.3 mtt -71.99 -8.29 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.607 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -110.43 -165.33 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.4 t0 61.98 95.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.3 p -140.48 148.22 40.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.59 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.27 -71.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.033 0.444 . . . . 0.0 110.701 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.7 m -147.08 145.68 29.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -52.68 -34.72 53.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.766 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.89 -40.31 94.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -63.18 -39.94 96.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.669 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.413 HG23 ' SD ' ' A' ' 145' ' ' MET . 96.7 mt -64.43 -44.08 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.16 -45.02 96.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.632 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.24 -41.05 90.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.74 -39.2 70.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.341 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.97 -45.57 82.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -62.39 -45.26 93.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.582 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.21 -42.4 90.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.359 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.76 -24.39 61.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' A' ' 98' ' ' GLY . 47.6 t0 -92.12 60.8 3.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.241 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -59.58 -37.1 77.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -80.32 -2.79 46.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.631 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 56.72 21.48 36.33 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.415 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 52.1 p-10 -70.54 -17.25 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.48 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.426 ' H ' ' CG ' ' A' ' 93' ' ' ASP . . . 78.32 22.44 67.78 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 84.9 m-85 -143.41 147.18 34.21 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.579 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.2 mm -102.68 114.71 42.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.969 0.414 . . . . 0.0 110.569 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.0 m -96.61 174.47 6.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.435 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.63 -47.88 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.55 -48.89 68.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.323 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -70.98 -35.95 72.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.359 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.683 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.1 tt -63.43 -33.64 76.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.126 0.489 . . . . 0.0 110.409 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.2 mtp-105 -70.42 -33.01 70.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.602 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.9 t-80 -55.37 -41.52 72.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.119 -179.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.35 -45.26 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.728 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.7 mmm -64.94 -43.48 92.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.615 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.5 m -61.63 -41.1 97.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.189 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.402 ' HA ' HD21 ' A' ' 111' ' ' ASN . 6.8 m120 -60.29 -37.91 82.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.44 -12.38 61.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.948 0.404 . . . . 0.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.94 -3.74 62.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -82.54 130.53 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.417 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -122.55 115.61 22.47 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.602 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.7 mt -111.71 156.1 22.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.5 p -76.53 169.99 17.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.457 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.29 -41.64 99.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.78 -37.02 81.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.86 -41.23 97.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 56.5 t -62.1 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.473 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -58.67 -49.11 78.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.32 -38.59 78.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.3 ttp -61.4 -47.4 85.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.55 -45.02 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.761 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -60.93 -44.38 97.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.43 -35.08 70.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.759 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.85 -30.34 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.591 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 27.9 t70 -72.31 112.4 8.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.379 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.54 -43.23 83.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 20.5 p-10 -80.91 2.6 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.746 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.561 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 42.05 31.25 0.83 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.591 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.6 p-10 -83.94 -0.89 53.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.371 . . . . 0.0 110.465 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.72 -7.94 31.04 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -133.31 146.92 51.79 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.022 0.439 . . . . 0.0 110.422 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.4 t -97.75 124.6 50.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -91.19 164.35 13.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.39 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -59.11 -49.8 76.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.33 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -59.57 -37.39 78.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.408 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -75.02 -37.02 61.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.588 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 61.4 t80 -60.48 -50.63 72.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.6 t -58.29 -46.3 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.171 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 147' ' ' ALA . 22.3 mm100 -65.31 -44.31 88.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.57 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.6 ttm -54.22 -31.97 54.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.298 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 28.4 mtt -92.73 -32.31 14.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.96 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 146' ' ' THR . 91.3 m -94.11 8.21 42.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.68 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -58.82 143.55 47.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.493 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.658 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.1 p -65.65 -18.95 65.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.811 0.339 . . . . 0.0 110.534 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -76.16 80.41 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.544 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -66.03 -40.97 91.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -155.31 20.09 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.569 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 62' ' ' HIS . 64.9 t-80 -58.66 -41.96 87.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' HIS . 99.5 m-70 -54.62 -167.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.83 136.45 45.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.455 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 65' ' ' SER . . . -170.31 -135.49 1.92 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 64' ' ' GLY . 1.4 m 57.85 158.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 0.0 110.61 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.2 m -58.97 -41.19 86.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.505 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 69' ' ' ASN . . . 149.12 29.13 0.06 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.54 21.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.505 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 67' ' ' GLY . 89.4 m-20 -63.6 -33.57 75.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.589 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.7 mt -62.11 -33.53 74.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.727 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -57.15 -46.3 82.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.476 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -64.96 -40.96 95.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.631 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.29 -24.74 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.748 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 77' ' ' LYS . 19.2 m -57.51 -39.43 76.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.619 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.2 mp -63.33 -41.7 98.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.693 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.9 ttt -76.32 7.16 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 74' ' ' SER . 79.4 tttt -139.98 162.19 35.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.471 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.9 t70 68.57 140.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.552 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.807 ' OG1' HD11 ' A' ' 85' ' ' ILE . 3.8 t -146.1 153.61 40.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.6 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.53 -54.17 31.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.7 t -163.69 138.25 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.608 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.67 -41.27 63.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.486 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.43 -41.21 93.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.35 -35.4 80.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.807 HD11 ' OG1' ' A' ' 79' ' ' THR . 94.9 mt -63.04 -44.96 99.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.343 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -62.88 -46.61 87.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.529 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -67.62 -42.23 82.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.76 68.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.082 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -58.75 -46.37 87.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.454 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -60.44 -44.64 95.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.708 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.27 -42.93 95.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.301 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.9 -26.38 62.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.34 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -88.95 67.4 8.16 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -57.48 -36.68 71.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 97' ' ' ASN . 13.8 m-20 -79.74 -3.39 47.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.233 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.59 20.95 0.69 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 95' ' ' ASP . 37.8 p-10 -77.46 -11.38 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.617 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.21 19.77 56.49 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.516 ' CE1' ' ND2' ' A' ' 137' ' ' ASN . 81.6 m-85 -142.32 146.55 35.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.337 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.1 mt -109.72 112.55 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.256 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 p -88.45 178.54 6.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.564 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.62 -44.36 89.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.92 77.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.358 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -68.51 -39.6 81.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.417 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.519 HD22 HD11 ' A' ' 125' ' ' ILE . 49.2 tp -62.62 -28.6 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -68.79 -40.6 79.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.81 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.46 ' O ' ' OG1' ' A' ' 110' ' ' THR . 6.5 m-70 -55.75 -41.81 74.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.976 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.0 t -66.1 -44.49 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.379 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.46 ' SD ' HD13 ' A' ' 116' ' ' LEU . 50.4 ttp -63.81 -42.74 97.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 20.5 p -56.37 -33.99 66.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.277 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 63.1 t-20 -65.2 -35.94 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.309 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.73 -32.31 70.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.49 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.54 25.22 12.34 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -106.12 137.5 43.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.83 0.348 . . . . 0.0 110.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.613 ' C ' HD12 ' A' ' 116' ' ' LEU . 98.9 mttt -108.67 107.8 18.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.776 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.613 HD12 ' C ' ' A' ' 115' ' ' LYS . 11.2 mp -113.7 151.05 32.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.015 0.436 . . . . 0.0 110.496 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.0 p -76.64 164.91 25.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -62.77 -39.58 94.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.96 -40.57 91.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.573 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -60.63 -44.05 96.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.754 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.9 -44.71 99.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.89 -43.98 91.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.72 -36.72 84.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.654 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 40.0 mtt -62.2 -40.79 97.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.681 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.519 HD11 HD22 ' A' ' 105' ' ' LEU . 38.6 mm -66.46 -43.37 91.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.813 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -63.46 -48.26 78.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.48 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.22 -37.57 72.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.992 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.7 -31.3 66.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.845 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 28.5 t0 -70.94 120.02 15.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.442 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.13 -45.43 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.475 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 3.1 p30 -91.26 11.81 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 43.38 47.72 6.94 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.506 ' H ' ' CG ' ' A' ' 129' ' ' ASP . 89.4 m-20 -85.91 -5.89 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.341 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.06 -7.45 75.04 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -140.63 155.29 46.58 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.066 0.46 . . . . 0.0 110.308 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.7 t -92.85 124.38 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.463 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 15.2 t-20 -97.57 171.25 8.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.482 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.421 ' N ' ' CG ' ' A' ' 137' ' ' ASN . 89.8 t80 -59.75 -48.84 80.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.37 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.47 -40.74 87.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.171 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.55 -38.19 74.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.28 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.6 -51.06 70.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.426 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.71 -45.2 86.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 147' ' ' ALA . 15.9 mm100 -64.91 -44.75 88.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.438 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.3 ttm -57.35 -32.54 66.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.14 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.8 mmt -90.53 -34.08 15.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.936 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.5 m -96.52 13.05 29.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.962 0.411 . . . . 0.0 110.5 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -57.48 142.91 42.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.43 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.487 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -141.46 149.55 41.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.827 0.346 . . . . 0.0 110.559 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -82.85 162.17 21.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -66.32 126.86 30.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.46 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -100.49 126.74 46.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -56.97 -78.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.516 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -174.78 76.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.597 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -67.62 -44.59 77.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' SER . . . -56.68 -68.04 1.9 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p 43.28 20.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.664 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' GLY . 26.8 m -71.69 148.14 46.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.394 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.97 99.54 0.14 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.404 ' H ' ' HB2' ' A' ' 71' ' ' TYR . 34.8 tt0 -173.38 -135.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.388 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -76.18 -30.64 58.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.628 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.3 mp -77.87 -9.09 58.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.471 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.404 ' HB2' ' H ' ' A' ' 68' ' ' GLU . 91.1 t80 -59.47 -42.49 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.39 -45.27 91.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.567 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -64.72 -28.55 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.618 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.3 p -58.67 -33.49 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.511 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.78 -40.65 97.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.3 ttt -68.36 -14.44 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.6 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -109.35 141.28 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 32.3 p-10 -174.78 124.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.567 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 4.0 t -151.72 149.84 29.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 79' ' ' THR . 92.0 m-20 -142.69 -79.35 0.23 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.431 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.2 t -140.94 138.06 33.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.202 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -49.52 -47.48 48.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.545 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 9.8 pt-20 -61.59 -43.16 99.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 93.6 mt-10 -62.75 -42.71 99.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.625 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.69 -46.69 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.436 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -61.23 -43.89 98.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.357 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -66.84 -41.3 87.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.489 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.88 80.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.27 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -59.48 -45.32 92.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.62 -47.36 85.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.62 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.8 -43.05 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.089 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.58 -21.14 61.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.45 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.557 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 19.9 t0 -102.69 67.36 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.22 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.24 -34.7 74.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 26.1 p-10 -76.66 -1.16 26.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.565 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.46 21.21 66.47 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.591 ' C ' ' H ' ' A' ' 99' ' ' TYR . 4.0 t-20 -81.96 116.36 21.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.211 0.529 . . . . 0.0 110.022 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -52.06 -1.48 0.05 OUTLIER Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.591 ' H ' ' C ' ' A' ' 97' ' ' ASN . 88.3 m-85 -128.66 150.12 50.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.864 0.364 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.9 mm -107.95 127.32 64.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.4 m -101.92 179.25 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.443 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.83 86.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.33 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.126 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.21 -35.46 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.852 0.358 . . . . 0.0 110.169 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.47 -36.17 79.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.205 0.526 . . . . 0.0 110.241 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -69.86 -33.04 71.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.515 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -56.05 -40.94 74.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.311 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.06 -43.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.46 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.6 mmt -62.46 -39.71 94.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.8 m -61.14 -39.01 88.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.341 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -60.16 -24.14 64.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.446 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 mt -71.61 -19.52 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.456 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.11 -6.88 60.06 Favored Glycine 0 N--CA 1.462 0.387 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -120.75 113.62 20.46 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 110.463 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.74 138.5 38.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.443 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.7 mt -111.53 161.89 15.7 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.338 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 p -79.34 167.02 21.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.362 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.02 -41.14 99.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.725 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -64.98 -37.47 87.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.506 ' O ' ' SD ' ' A' ' 124' ' ' MET . 66.1 mm-40 -64.0 -40.7 96.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.711 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.03 -44.95 97.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.508 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -59.93 -46.87 87.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.651 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.26 -44.7 88.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.734 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.566 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -60.86 -44.21 97.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.637 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -64.0 -44.53 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.372 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -61.13 -40.34 93.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.753 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.03 -34.48 77.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.738 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.78 -19.49 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.65 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 61.2 t0 -76.84 101.26 5.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.9 mm -66.91 -43.36 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.686 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 13.3 p-10 -88.18 8.56 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.741 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 40.96 37.4 1.38 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 42.5 p-10 -81.28 -2.84 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.596 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 78.23 -2.18 67.12 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.439 ' NE2' ' CD2' ' A' ' 99' ' ' TYR . 40.7 tt0 -133.62 149.49 51.59 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.9 t -93.7 125.96 46.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -97.91 162.16 13.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.532 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -61.18 -49.37 77.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -57.89 -38.32 75.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.37 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.13 -40.65 74.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.38 -48.8 80.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.418 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 146' ' ' THR . 74.7 t -58.16 -46.9 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 147' ' ' ALA . 57.3 tt0 -54.91 -47.21 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 89.1 mmm -60.81 -30.23 69.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.294 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 97.3 mmm -89.16 -27.82 20.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.969 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 142' ' ' VAL . 4.5 p -98.77 2.24 46.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.748 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.75 123.09 13.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.34 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.684 -179.709 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.3 t -61.62 -42.14 98.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.335 . . . . 0.0 110.521 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -90.03 129.43 36.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.566 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -106.59 120.81 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -68.47 -40.32 81.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.597 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -68.67 137.58 54.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -115.83 150.85 36.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.534 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 56.03 -146.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.529 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.79 25.52 64.65 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m 61.24 69.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.565 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.8 p -157.36 166.12 33.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 69' ' ' ASN . . . 83.11 -172.95 51.8 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 62.48 -68.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.556 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 67' ' ' GLY . 19.6 p30 -62.06 -31.87 72.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.516 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.0 mt -63.62 -39.67 94.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.4 ' O ' ' OG ' ' A' ' 74' ' ' SER . 90.4 t80 -59.54 -48.87 79.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.34 -44.53 96.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.604 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -65.73 -23.19 66.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.589 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 71' ' ' TYR . 19.9 p -57.85 -41.11 81.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.614 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.9 mt -65.08 -40.65 94.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.546 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.7 mtt -85.17 7.74 20.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.619 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.76 133.31 55.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -84.71 170.45 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.455 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.1 p -82.81 169.08 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.597 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.29 -43.4 96.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.499 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.7 t -83.29 53.36 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.49 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.11 -27.69 69.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.543 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.3 -39.44 93.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.709 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.02 -42.62 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.586 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.82 -41.56 92.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -58.34 -42.95 87.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.39 -42.87 88.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.41 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -55.06 -39.02 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.266 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -66.98 -41.03 87.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.783 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.44 -46.65 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.444 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.42 ' H ' ' HG2' ' A' ' 92' ' ' GLU . 15.4 pt-20 -72.59 -20.88 61.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.543 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -88.14 69.27 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.437 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.67 -41.84 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.462 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 34.8 p30 -79.08 -1.98 38.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.567 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.96 20.44 4.37 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 45.9 p-10 -69.52 -20.63 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.544 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.8 17.63 59.49 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.474 ' C ' HD12 ' A' ' 100' ' ' ILE . 94.3 m-85 -140.34 143.84 35.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.6 mp -101.77 117.79 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.443 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 p -98.34 179.47 4.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.594 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.34 -47.36 78.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.593 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.29 63.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.215 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 33.9 mt-10 -71.24 -35.69 71.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.323 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.92 -33.7 75.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.363 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -69.01 -36.53 77.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -55.3 -41.87 72.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.07 -45.58 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.553 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.47 -40.25 96.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.482 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.3 p -65.16 -33.26 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.508 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.6 -40.3 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.546 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 112' ' ' LEU . 9.6 mp -80.5 -7.04 59.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.9 -3.81 86.65 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.15 123.98 23.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.396 . . . . 0.0 110.492 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -104.16 104.84 14.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.583 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.8 mt -116.63 157.06 25.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.338 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.8 p -80.77 165.12 22.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.528 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.44 -38.74 92.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.59 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.18 -40.42 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.11 -40.57 98.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.88 -44.84 99.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.07 -43.67 98.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -62.54 -40.33 96.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.2 mmm -62.34 -42.17 99.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -63.41 -44.43 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.482 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.29 -40.3 89.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.38 -32.82 72.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.95 -25.06 24.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.674 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 52.2 t0 -67.82 107.76 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.636 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.97 -44.1 85.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.737 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -92.48 8.39 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.739 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.41 42.62 4.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.512 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 38.2 p30 -84.11 -3.82 58.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.879 0.371 . . . . 0.0 110.568 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.06 -2.18 84.75 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.6 mm100 -134.94 152.12 51.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 110.553 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 74.6 t -100.46 124.39 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.518 ' ND2' ' OE1' ' A' ' 140' ' ' GLU . 6.2 p30 -97.87 179.1 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -60.13 -47.33 86.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.64 -39.15 90.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.518 ' OE1' ' ND2' ' A' ' 137' ' ' ASN . 71.7 mt-10 -72.39 -28.65 63.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.543 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -73.71 -52.28 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.2 t -57.05 -49.48 79.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.377 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -66.43 -40.09 89.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.914 0.388 . . . . 0.0 110.653 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.467 ' SD ' ' C ' ' A' ' 144' ' ' MET . 11.7 tmm? -63.46 -39.62 94.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.572 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.3 ttp -67.92 -31.31 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 146' ' ' THR . 20.2 m -84.28 0.31 49.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.0 142.44 58.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.585 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.2 m -69.02 144.56 54.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.437 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -78.58 140.03 38.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.53 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -87.77 121.4 30.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.415 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -155.2 158.84 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.537 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.608 ' NE2' ' CE1' ' A' ' 63' ' ' HIS . 31.7 p-80 -150.69 -29.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.5 t60 45.79 90.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.531 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.608 ' CE1' ' NE2' ' A' ' 61' ' ' HIS . 35.1 m80 -64.12 -34.36 77.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' SER . . . 84.32 30.24 28.35 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' GLY . 44.3 m -51.75 -172.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -57.6 143.01 42.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.438 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.45 -24.04 0.66 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 49.87 98.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.669 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 76.6 m-20 -63.6 -36.61 84.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.536 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.2 mp -61.57 -37.09 82.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.364 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -57.68 -47.89 81.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.37 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -65.06 -39.7 93.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.541 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.68 -30.62 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.433 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.1 m -56.92 -37.25 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.516 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 75' ' ' LEU . 4.0 mm? -62.59 -43.46 98.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.462 ' O ' ' O ' ' A' ' 77' ' ' LYS . 51.0 mtt -86.9 -8.77 56.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.669 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 76' ' ' MET . 87.0 tttt 58.2 136.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 79' ' ' THR . 36.6 t0 -82.84 -177.66 6.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.428 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.479 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t -142.18 148.3 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -105.3 -72.72 0.7 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.528 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.2 p -83.13 101.87 11.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 56.7 mp0 -57.9 -32.72 68.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.576 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -59.56 -43.4 93.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.91 -33.09 72.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.648 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.5 -44.95 96.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 -62.25 -43.65 98.36 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.434 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -67.03 -42.14 85.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.333 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.64 79.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.323 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.48 -46.74 86.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.33 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.7 -46.21 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.563 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.83 -42.17 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.343 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -71.16 -23.26 62.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.361 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.489 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 31.4 t0 -88.34 73.78 8.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.294 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -61.11 -41.36 96.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 29.0 p-10 -80.75 -1.57 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.524 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.88 20.69 6.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.3 p-10 -66.39 -25.95 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.515 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 89.74 19.94 45.9 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -143.96 147.49 34.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 110.557 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mm -103.28 117.03 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.39 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.7 p -98.31 178.96 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.447 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.67 84.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.513 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.39 -46.85 66.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.102 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -70.48 -35.43 73.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.984 0.421 . . . . 0.0 110.447 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.714 HD22 HD11 ' A' ' 125' ' ' ILE . 4.3 tp -62.64 -32.77 73.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -71.02 -38.31 72.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.425 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.471 ' O ' ' OG1' ' A' ' 110' ' ' THR . 1.3 m-70 -56.38 -41.55 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.239 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.36 -45.24 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.409 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.0 mmt -64.82 -39.92 94.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.499 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 21.7 p -59.9 -32.23 70.55 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.436 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 54.0 t-20 -64.02 -39.93 95.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.259 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 112' ' ' LEU . 11.3 mp -75.99 -9.68 58.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.4 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.14 1.11 76.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -79.73 128.81 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.673 0.273 . . . . 0.0 110.29 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -117.01 111.85 20.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.439 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 87.2 mt -116.19 159.87 21.2 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.571 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 118' ' ' ASP . 7.9 m -77.87 165.8 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.472 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 117' ' ' THR . 75.3 m-20 -64.34 -40.19 95.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.39 -38.75 88.24 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.604 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -62.98 -39.79 95.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.35 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 80.2 t -64.88 -44.24 96.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.432 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.06 -44.4 94.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.465 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.24 -37.57 85.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.646 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.3 ttt -61.68 -43.17 99.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.714 HD11 HD22 ' A' ' 105' ' ' LEU . 29.6 mm -63.31 -44.34 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -60.51 -43.0 97.54 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.281 0.363 . . . . 0.0 110.806 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.78 -34.86 76.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.637 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.33 -27.03 32.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.696 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 51.8 t0 -64.4 109.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 110.386 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.2 mt -69.61 -44.06 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.979 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.2 p30 -92.6 8.02 40.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.691 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.14 41.59 6.35 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 41.1 p-10 -89.57 -2.03 58.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.702 0.287 . . . . 0.0 110.332 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.479 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 78.33 -6.09 52.77 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.444 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 8.9 tp-100 -135.66 150.81 49.72 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.985 0.421 . . . . 0.0 110.172 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 63.0 t -97.47 124.58 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.284 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 140' ' ' GLU . 2.3 p30 -93.92 169.71 10.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.559 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -61.23 -49.15 78.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.13 -37.65 77.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 22.4 tt0 -74.71 -36.2 62.71 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -62.6 -51.37 67.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.603 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.18 -46.17 92.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.133 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -65.57 -45.95 81.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.509 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.4 ttp -59.19 -32.16 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.349 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 mmt -92.76 -11.46 33.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.62 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 146' ' ' THR . 86.4 m -112.15 7.34 19.54 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.953 0.406 . . . . 0.0 110.627 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.405 ' CB ' ' SD ' ' A' ' 76' ' ' MET . . . -60.53 141.19 56.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.414 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.1 p -69.77 -17.02 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.551 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -152.96 156.58 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.422 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -109.37 -159.48 0.68 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.497 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 54.5 t-80 53.71 37.9 27.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.619 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 83.4 t60 -153.54 -66.38 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.34 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.534 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 50.8 p-80 39.94 92.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -161.74 82.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.429 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.79 179.94 52.13 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 p 70.24 22.71 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.608 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.4 t -62.45 -44.52 96.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.25 153.95 24.54 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -141.28 121.96 14.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.511 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -64.92 -33.82 76.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.644 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.4 mp -68.02 -11.43 58.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -58.56 -47.49 84.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.364 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.74 -40.51 92.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.694 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -64.36 -29.34 70.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.556 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.5 m -58.11 -34.31 70.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.539 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.6 mp -65.12 -39.07 92.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.75 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 mtt -76.1 7.86 3.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.837 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -47.2 138.94 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.643 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -78.35 165.31 23.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 m -94.7 150.71 19.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.596 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -63.08 -41.0 99.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.466 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m -117.14 110.31 18.02 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.871 0.367 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -58.29 -32.74 68.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.16 -35.33 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -65.51 -32.52 74.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.26 -44.69 99.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.689 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -62.69 -46.76 86.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.867 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.33 -41.04 81.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.458 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.92 75.65 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.943 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.536 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 72.6 t80 -57.66 -44.9 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.32 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -62.69 -45.4 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.68 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.46 -41.0 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.9 -23.2 63.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.536 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 36.3 m-20 -89.48 69.95 7.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.43 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -60.08 -41.4 92.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.571 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.502 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 33.5 p-10 -80.35 -1.72 42.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.44 21.01 25.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.502 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 50.6 p-10 -71.76 -15.07 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.98 23.23 62.01 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -143.75 146.81 33.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.096 0.474 . . . . 0.0 110.449 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 mm -102.7 114.23 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.187 0.517 . . . . 0.0 110.632 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 13.1 t -99.74 178.85 4.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.364 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.468 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -56.24 -47.82 77.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.321 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.509 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -53.58 -47.23 70.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.542 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.29 -38.02 71.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.829 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.78 -31.82 73.22 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' HE ' HG21 ' A' ' 121' ' ' VAL . 99.6 mtt180 -70.42 -39.7 74.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.023 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 19.7 m170 -56.49 -41.12 76.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.429 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.9 -47.71 91.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.6 mtp -67.53 -35.43 79.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 m -60.25 -38.98 85.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.004 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -57.54 -35.29 70.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.115 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 112' ' ' LEU . 10.9 mp -73.31 -7.33 51.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.393 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.08 75.3 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -90.33 137.23 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.397 . . . . 0.0 110.216 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -119.04 112.53 19.68 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.383 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -116.8 158.75 23.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.1 p -78.56 165.98 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.523 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.99 -41.48 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.709 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.44 -37.71 87.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.739 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -63.84 -41.33 97.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.454 HG21 ' HE ' ' A' ' 106' ' ' ARG . 75.2 t -63.28 -45.48 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.308 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.06 -47.57 84.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.743 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' A' ' 127' ' ' GLU . 81.0 mm-40 -64.24 -37.14 86.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.27 -41.76 97.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.671 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -63.9 -43.73 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.411 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -60.98 -47.0 88.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.049 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.568 ' N ' ' OE1' ' A' ' 127' ' ' GLU . 0.3 OUTLIER -65.58 -40.66 92.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.982 179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.18 -28.69 48.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 40.4 t0 -75.14 106.77 6.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.484 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.3 mt -73.19 -33.06 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.586 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -80.61 -1.45 42.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.43 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.94 28.16 1.68 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.491 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 27.2 p30 -87.27 -4.93 59.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.584 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.95 -3.78 84.69 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.451 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 89.0 mt-30 -138.98 153.61 48.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.17 0.509 . . . . 0.0 110.443 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.2 t -101.06 126.32 54.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.016 0.436 . . . . 0.0 110.455 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -90.89 165.59 13.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.684 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.18 -50.33 74.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.227 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -61.16 -38.91 88.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.373 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.58 -37.36 68.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.614 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -60.42 -50.64 72.8 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.4 -48.34 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.346 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.565 ' O ' ' N ' ' A' ' 147' ' ' ALA . 77.8 mt-30 -67.38 -43.93 80.17 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 110.741 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.6 tmm? -58.34 -37.12 74.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.418 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 86.3 mmm -74.27 -34.91 63.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.126 0.489 . . . . 0.0 110.448 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.3 p -93.69 -3.97 51.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -58.12 136.27 57.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.386 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.679 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p 47.3 23.39 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.621 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -136.99 130.2 31.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.521 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -160.23 14.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.507 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -71.34 127.89 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -153.61 122.42 6.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -158.73 136.92 10.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -101.01 118.96 38.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.77 103.05 2.17 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.2 p -62.85 -33.19 74.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.511 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 t -141.68 149.56 40.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.569 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.33 -7.43 67.92 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 47.71 90.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -63.45 -39.28 94.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 70' ' ' LEU . 4.1 mm? -61.95 -43.01 99.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.856 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.428 ' O ' ' OG ' ' A' ' 74' ' ' SER . 90.1 t80 -65.6 -37.89 87.91 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.351 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -58.74 -44.12 90.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.33 -26.19 67.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.693 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 71' ' ' TYR . 19.1 p -59.7 -32.12 70.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.63 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.0 mp -61.97 -41.99 98.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.5 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 98.5 mtp -65.0 -4.36 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 78' ' ' ASP . 20.4 ptmt -146.24 -165.95 2.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 77' ' ' LYS . 97.9 m-20 55.11 111.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.497 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -137.61 134.92 36.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.513 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.56 -50.28 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.648 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.2 t -155.58 131.35 9.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' A' ' 85' ' ' ILE . 81.9 tt0 -52.06 -36.72 51.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.541 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.74 -36.52 76.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -65.85 -34.76 78.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.591 HD13 ' SD ' ' A' ' 145' ' ' MET . 71.1 mt -61.56 -48.07 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.676 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -61.97 -44.97 95.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.46 -40.55 85.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.491 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.29 85.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.356 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -61.72 -46.88 87.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.547 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.57 -48.07 83.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.48 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.13 -42.31 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.19 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -71.54 -22.16 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.335 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -87.87 69.53 9.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.942 0.401 . . . . 0.0 110.168 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -61.24 -41.37 96.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 40.0 p30 -79.39 -1.56 37.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 49.0 19.99 1.72 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.6 p-10 -70.1 -20.3 63.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.652 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 87.4 12.33 67.53 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -137.27 145.26 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.368 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.4 mm -104.04 121.78 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.619 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 12.1 t -105.22 179.34 4.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.338 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -54.13 -48.7 70.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.383 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.32 -46.6 69.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.143 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.38 -36.09 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.066 0.46 . . . . 0.0 110.366 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.25 -32.87 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.435 0.636 . . . . 0.0 110.655 -179.583 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -68.46 -38.93 81.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.666 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -55.88 -42.91 76.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.35 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.27 -47.03 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.624 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.09 -38.35 90.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.367 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.7 m -60.77 -42.58 97.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.32 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 57.4 t-20 -59.91 -35.82 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.311 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.37 -4.17 37.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.53 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.28 6.77 85.86 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -93.21 140.43 29.54 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -120.75 115.54 23.5 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.297 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.5 mt -117.9 161.05 20.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.393 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 121' ' ' VAL . 17.7 p -80.67 164.85 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.562 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 32.7 p-10 -63.59 -40.56 97.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.455 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 80.6 mm-40 -66.89 -43.16 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.84 -43.16 99.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.668 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 117' ' ' THR . 53.3 t -61.84 -47.16 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.376 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -61.8 -43.84 98.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.499 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 123' ' ' GLU . 1.9 tm-20 -67.89 -36.76 80.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.678 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -40.18 91.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.777 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -62.45 -42.56 96.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.391 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -57.95 -43.15 86.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.44 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.56 -43.96 88.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.23 -25.95 55.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.667 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 52.1 t0 -70.37 97.72 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.49 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.97 -41.87 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.416 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 16.5 m-20 -78.0 -0.41 27.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.313 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.46 27.67 1.31 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.536 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 34.2 p-10 -83.95 1.91 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.75 0.31 . . . . 0.0 110.431 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.471 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 75.4 -5.48 35.75 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 99.4 mm-40 -135.69 152.76 51.5 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.2 0.524 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.7 125.46 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -95.01 160.11 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.24 -49.04 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.424 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -61.9 -38.49 88.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.48 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.416 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 12.0 tt0 -71.23 -39.49 71.67 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 120.655 0.264 . . . . 0.0 110.567 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -61.27 -47.25 86.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.41 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.07 -47.21 90.78 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.272 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.13 -46.47 77.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.0 0.429 . . . . 0.0 110.572 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' A' ' 144' ' ' MET . 12.0 tmm? -57.54 -29.06 64.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.591 ' SD ' HD13 ' A' ' 85' ' ' ILE . 1.6 ptt? -61.82 -28.01 69.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.4 m -110.9 12.79 22.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.995 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.09 140.0 53.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.256 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.8 pttp . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.56 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.1 t -70.49 141.81 51.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 0.0 110.518 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -152.69 149.71 28.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -76.38 159.52 30.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.457 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -150.71 155.59 39.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.444 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.7 m80 46.65 81.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -57.77 -41.78 82.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.488 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -152.39 165.61 34.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.57 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.49 167.86 0.15 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -61.2 138.46 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.604 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.4 p -81.93 -112.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.74 113.57 3.94 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.14 -38.94 89.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -63.37 -37.22 86.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.612 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.88 -35.64 78.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.5 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.55 -48.71 78.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.38 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -66.12 -41.77 90.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.699 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -65.31 -35.27 80.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.447 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 77' ' ' LYS . 42.1 t -60.5 -43.25 97.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.61 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.56 -41.85 96.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 144' ' ' MET . 5.6 ttt -80.73 -12.42 59.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 74' ' ' SER . 63.5 tttp -129.2 110.41 11.96 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.425 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -171.0 88.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.9 p -134.87 153.38 52.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.042 0.449 . . . . 0.0 110.475 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -94.03 -58.11 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.376 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 p -154.4 155.13 34.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 55.3 mp0 -50.35 -42.83 53.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.694 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.5 -38.43 89.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -65.17 -39.55 93.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.33 -47.12 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.621 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.08 -46.42 87.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.41 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.34 -42.56 79.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.533 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.11 74.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.419 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 61.2 t80 -58.38 -46.12 86.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.606 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -66.28 -47.8 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.676 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.22 -42.97 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.146 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -71.57 -20.08 62.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.45 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.522 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 22.9 m-20 -94.93 75.07 3.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.266 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -59.67 -38.0 80.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.659 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 22.0 p-10 -80.64 0.14 35.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.72 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.31 33.82 82.21 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.717 HD22 ' N ' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -92.15 120.44 32.75 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.556 -0.379 . . . . 0.0 110.651 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.82 -0.95 0.03 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.627 ' H ' ' C ' ' A' ' 97' ' ' ASN . 81.9 m-85 -127.9 149.77 50.16 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.424 0.631 . . . . 0.0 110.2 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -111.5 131.31 63.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.398 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 17.0 t -90.47 177.15 6.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.531 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.437 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -66.27 -46.93 75.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.704 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.51 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.074 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -68.12 -35.95 78.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.411 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.488 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.8 tt -63.38 -31.44 72.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.614 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.441 ' HE ' HG21 ' A' ' 121' ' ' VAL . 41.4 ttm180 -71.21 -34.36 70.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.613 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -55.36 -40.6 71.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.085 -178.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.92 -45.67 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.503 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -63.01 -42.24 99.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.475 -179.594 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 m -62.62 -40.98 98.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.266 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -61.52 -37.46 83.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.69 -15.88 62.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.602 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.16 -14.95 39.98 Favored Glycine 0 N--CA 1.463 0.495 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 40.6 mp0 -84.1 132.37 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.393 . . . . 0.0 110.481 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.532 ' C ' HD12 ' A' ' 116' ' ' LEU . 88.5 tttt -115.05 113.58 24.24 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.047 0.451 . . . . 0.0 110.321 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.1 mp -105.24 142.67 34.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.5 p -75.92 171.18 14.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.438 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.17 -41.1 92.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.751 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -68.67 -40.28 80.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.752 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.93 -43.29 99.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.441 HG21 ' HE ' ' A' ' 106' ' ' ARG . 63.4 t -61.91 -46.07 97.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -61.36 -44.74 96.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.513 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.53 -38.89 81.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.67 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 124' ' ' MET . 1.6 tmt? -61.89 -47.81 83.32 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.3 mt -62.31 -45.01 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -60.54 -40.17 90.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.692 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -70.32 -33.82 71.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.013 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.46 -26.18 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 66.0 t0 -70.05 107.47 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.416 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.8 -44.62 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -89.7 6.02 43.28 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.04 38.53 2.6 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.548 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 47.9 p-10 -80.41 -4.51 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.478 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.61 -2.49 85.6 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -139.01 155.51 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 110.517 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.1 t -93.66 125.31 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.068 0.461 . . . . 0.0 110.368 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -97.67 166.09 11.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.507 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -59.87 -51.22 70.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.488 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -58.24 -39.0 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.496 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -74.86 -34.15 62.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -61.94 -51.26 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.056 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.09 -45.31 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.943 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 147' ' ' ALA . 88.5 mt-30 -64.5 -46.89 81.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.806 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' MET . 66.9 ttp -63.07 -33.83 76.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.581 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.8 mmm -75.92 -38.21 57.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -102.44 13.8 33.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.626 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.55 139.03 50.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.362 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 65.6 tttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.631 -179.56 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.7 m -78.83 105.63 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -66.95 -39.73 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.562 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 85.9 t60 56.19 99.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.453 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -78.53 151.09 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.632 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.529 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 85.4 t60 -152.31 164.27 37.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.518 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 39.8 p-80 -152.2 164.37 37.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.417 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -109.78 131.31 55.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.12 57.4 4.62 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.7 m -60.31 -42.2 95.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.669 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.9 p -74.6 158.2 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.421 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.82 -118.92 2.73 Favored Glycine 0 N--CA 1.466 0.679 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 53.92 31.32 13.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.829 0.347 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 87.0 m-20 -64.36 -29.28 70.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.51 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -61.59 -40.14 93.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.326 -179.446 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.53 -49.75 76.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.293 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -65.01 -43.74 91.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -67.03 -33.74 76.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 t -59.12 -42.01 89.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.553 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.37 -41.62 97.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.493 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.0 mtt -73.06 -8.85 57.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.411 ' NZ ' ' OD2' ' A' ' 80' ' ' ASP . 63.0 tttm -112.63 132.02 55.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.391 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -134.56 -86.58 0.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.768 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.517 ' C ' ' H ' ' A' ' 81' ' ' SER . 19.6 p -107.98 -8.05 16.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.78 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.411 ' OD2' ' NZ ' ' A' ' 77' ' ' LYS . 33.8 m-20 56.59 3.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 79' ' ' THR . 3.9 t -73.48 102.14 3.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.937 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.657 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 1.2 pm0 -49.94 -45.21 51.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.595 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.03 -36.82 80.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.743 0.306 . . . . 0.0 110.619 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.437 ' OE1' ' OG1' ' A' ' 79' ' ' THR . 75.3 tt0 -64.52 -33.18 75.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.61 -48.39 88.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.613 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -65.95 -46.55 77.76 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.633 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.47 -47.55 69.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.707 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -56.3 -40.99 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.021 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CD1' HD11 ' A' ' 100' ' ' ILE . 71.6 t80 -58.67 -47.13 85.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.35 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -64.42 -48.38 75.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.77 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -61.81 -36.46 73.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.244 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -70.92 -23.68 62.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.27 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.484 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 15.0 m-20 -97.64 79.47 2.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.819 0.342 . . . . 0.0 110.557 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -58.01 -36.74 73.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.505 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.475 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 26.2 p-10 -77.85 3.21 14.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.307 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.8 43.47 80.75 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.828 ' H ' HD22 ' A' ' 97' ' ' ASN . 0.0 OUTLIER -108.29 128.94 55.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.357 0.598 . . . . 0.0 110.29 -179.545 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.36 20.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.68 ' H ' ' C ' ' A' ' 97' ' ' ASN . 86.0 m-85 -142.72 144.44 32.68 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.062 0.458 . . . . 0.0 110.231 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 89' ' ' PHE . 93.1 mt -111.5 130.5 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.457 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -101.27 176.66 5.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.488 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.7 98.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.61 66.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.954 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -68.61 -35.64 77.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.938 0.399 . . . . 0.0 110.255 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp -60.16 -30.35 69.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -68.87 -37.13 78.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.852 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -56.36 -43.0 78.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.153 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.08 -46.76 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.376 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -65.21 -38.23 89.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.333 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -58.13 -39.95 80.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.217 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -57.33 -38.38 73.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.197 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 112' ' ' LEU . 4.1 mm? -74.67 -6.08 46.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.708 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.5 0.24 89.76 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -77.49 131.85 38.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.667 0.27 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -112.15 109.78 19.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.497 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.1 mt -112.17 149.88 31.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.206 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.8 p -76.47 169.94 17.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.435 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -63.06 -40.33 97.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.25 -36.52 84.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.593 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.25 -40.85 94.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.692 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.81 -44.05 93.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.401 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.14 -44.22 92.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.33 -41.64 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.549 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.4 mmm -61.79 -44.97 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.627 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 129' ' ' ASP . 3.6 mm -63.03 -51.9 65.93 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -58.53 -44.18 89.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.747 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.33 -34.8 79.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.4 -27.05 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 46.8 t0 -63.23 110.23 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.03 0.443 . . . . 0.0 110.458 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.03 -43.79 81.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.013 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -98.55 13.28 32.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.12 36.86 2.92 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.534 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 24.6 p-10 -79.1 -5.86 55.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.809 0.338 . . . . 0.0 110.711 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.65 -3.64 81.55 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -151.36 169.17 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.44 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.6 t -102.25 122.38 54.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.473 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -91.5 164.02 13.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.417 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.85 -48.27 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.468 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.26 -41.33 84.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -75.13 -30.59 60.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.443 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.9 -49.23 78.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.223 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 66.4 t -57.99 -45.68 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.0 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 147' ' ' ALA . 82.1 mt-30 -63.48 -47.81 80.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.479 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.6 ttp -60.51 -31.43 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 96.6 mmm -87.41 -30.76 20.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.005 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.4 m -101.48 12.32 37.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.547 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -58.82 142.43 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.346 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.112 -0.946 . . . . 0.0 110.567 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.3 m -63.13 -177.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.822 0.344 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -57.99 -43.45 86.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.526 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 26.2 p-80 -84.25 134.45 34.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -150.01 162.43 40.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.622 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -169.36 55.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -77.54 -104.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.696 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -65.37 -38.67 90.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.35 -147.33 12.58 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.4 p -155.39 161.9 40.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.916 0.388 . . . . 0.0 110.54 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.9 t -110.65 139.44 45.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.95 123.59 33.99 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -86.86 59.36 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.501 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -63.43 -37.59 87.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.536 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.3 mp -61.65 -37.9 85.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.442 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -57.45 -42.12 81.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.437 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -59.59 -43.91 93.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.521 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -64.21 -28.51 69.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 77' ' ' LYS . 15.5 m -59.96 -37.82 80.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.416 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.28 -39.56 94.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.594 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.9 ttt -78.03 -11.2 59.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 74' ' ' SER . 87.0 tttt -142.94 114.52 8.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.526 ' H ' ' CE ' ' A' ' 145' ' ' MET . 71.2 m-20 -123.93 -177.58 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.477 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 t -150.94 163.63 38.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.669 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 61.8 t0 58.03 38.74 26.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.65 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -158.5 13.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.511 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -48.78 -38.06 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.417 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -68.96 -39.57 79.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.07 -37.69 88.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.674 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.669 HD13 ' HG2' ' A' ' 145' ' ' MET . 81.2 mt -61.63 -44.55 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.485 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -60.36 -45.62 92.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.359 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.37 -37.9 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.557 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.9 81.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.512 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -56.53 -45.73 80.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.318 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -65.01 -45.34 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.505 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.8 t -61.35 -40.68 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.502 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.436 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 73.2 mm-40 -70.11 -25.46 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.544 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 51.7 t0 -89.28 66.17 7.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.571 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.53 -41.06 96.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.788 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.409 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 36.4 p30 -78.75 -3.41 44.19 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.69 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.1 21.3 45.75 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.749 HD22 ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -67.32 -18.1 65.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.749 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 85.59 2.6 86.95 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.633 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 85.7 m-85 -130.36 156.8 44.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.42 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.4 mm -107.13 119.31 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.685 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.9 p -98.36 -179.57 4.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.605 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.73 93.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.483 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . . . -53.78 -44.83 70.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 31.2 mt-10 -72.06 -36.18 69.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.84 -31.92 73.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.033 0.444 . . . . 0.0 110.795 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 103' ' ' ALA . 86.3 mtm180 -71.29 -35.95 71.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.276 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.439 ' O ' ' OG1' ' A' ' 110' ' ' THR . 0.6 OUTLIER -55.53 -40.29 71.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.445 -179.509 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.93 -45.34 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.8 mmt -63.59 -38.53 91.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 43.9 p -63.59 -32.53 74.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -64.19 -40.73 96.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 112' ' ' LEU . 10.9 mp -71.85 -28.22 63.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.499 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.17 -10.64 43.74 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -70.58 138.61 51.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.492 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -120.79 112.76 19.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.62 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.4 mt -114.06 157.26 22.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.416 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.1 p -77.01 168.12 20.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.96 -39.62 95.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.713 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -66.39 -36.21 82.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -64.72 -37.1 86.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.22 -45.53 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.17 -48.77 80.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.82 -41.77 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 82.6 mtp -62.41 -42.71 99.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.469 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.42 -44.75 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.805 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -63.29 -48.64 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.205 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -67.8 -33.84 75.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.827 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.78 -28.42 33.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.624 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 68.3 t0 -69.92 111.68 5.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.423 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 82.3 mt -68.3 -44.53 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.7 p30 -92.13 9.74 32.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.29 37.01 1.51 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.604 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 51.5 p-10 -82.89 -1.48 52.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.785 0.326 . . . . 0.0 110.496 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.9 -9.77 10.73 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 68.0 mm-40 -131.92 144.85 51.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.474 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 t -100.7 120.47 50.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.522 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.662 ' H ' ' ND2' ' A' ' 137' ' ' ASN . 0.2 OUTLIER -95.32 172.13 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.22 -42.61 99.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.675 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -63.57 -45.25 91.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.701 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -75.25 -35.99 61.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.614 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -61.2 -49.93 75.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.711 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.24 -47.81 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.391 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.63 -48.97 65.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.7 ttp -57.99 -30.51 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.282 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.669 ' HG2' HD13 ' A' ' 85' ' ' ILE . 2.9 tpt -66.57 -46.39 76.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.772 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m -97.14 7.22 47.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.665 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.89 142.77 54.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.584 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.598 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.7 t 52.51 67.93 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -80.09 130.8 35.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.465 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.51 ' ND1' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -148.91 58.23 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 179.871 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -82.49 -65.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -95.31 -0.82 52.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.52 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 66.6 m80 -67.51 120.29 13.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.448 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 96.8 m-70 -157.94 17.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.592 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.22 3.68 87.05 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.3 t 53.08 77.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 110.516 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 t -71.76 146.34 48.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.601 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.81 152.99 14.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -85.45 -17.7 35.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.732 0.301 . . . . 0.0 110.474 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.94 -38.25 90.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.019 0.438 . . . . 0.0 110.487 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -62.6 -35.09 78.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.776 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -57.73 -48.35 79.85 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.378 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -65.17 -40.91 94.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.615 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.28 -27.77 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.624 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.5 m -56.87 -31.83 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.578 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.12 -41.55 96.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.9 mmm -68.78 -7.34 33.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.708 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -105.72 -165.51 1.12 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.278 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 72.07 118.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.434 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.7 t -150.03 145.72 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.459 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -97.49 -64.36 1.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.43 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.5 t -152.85 137.68 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 110.286 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 82' ' ' GLU . 0.8 OUTLIER -53.79 -39.93 65.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.418 -179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -66.7 -44.3 82.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -61.96 -38.93 90.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.671 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.98 -43.61 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.41 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.62 -44.79 95.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.313 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.61 -39.72 84.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.84 75.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.392 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.456 ' CD2' ' CE2' ' A' ' 138' ' ' TYR . 76.8 t80 -60.78 -47.6 85.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -64.42 -46.55 82.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.49 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.0 -42.21 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.215 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -71.48 -18.41 62.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.335 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -91.16 78.35 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.379 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -60.15 -38.95 84.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.521 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.442 ' C ' ' N ' ' A' ' 97' ' ' ASN . 11.5 m-20 -78.18 -2.77 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.193 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 44.53 19.96 0.18 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 95' ' ' ASP . 43.0 p30 -74.6 -15.13 60.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.493 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.76 16.2 58.6 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -138.32 143.43 39.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 110.425 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.6 mm -105.25 115.22 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.232 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -98.43 179.99 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -47.02 79.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.616 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.23 -45.9 68.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.202 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.87 -35.21 74.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.033 0.444 . . . . 0.0 110.053 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.66 -30.97 72.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.532 . . . . 0.0 110.546 -179.64 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.39 -38.22 90.28 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.387 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -55.41 -42.34 73.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.156 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.09 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.3 mtm -63.23 -41.05 99.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.2 p -62.66 -37.22 85.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 56.2 t-20 -64.53 -38.72 91.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.386 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.0 mt -71.61 -26.13 62.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.71 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.03 -9.73 70.19 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -73.86 141.96 46.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.691 0.282 . . . . 0.0 110.429 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -110.21 106.94 16.55 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.77 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.63 153.72 29.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.453 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.2 p -81.03 167.25 19.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.556 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.32 -38.07 88.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.604 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.01 -39.1 92.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.371 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.44 -39.17 93.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.84 -44.73 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.21 -44.23 92.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 0.0 110.421 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.419 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 81.9 tt0 -64.23 -38.64 91.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.486 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.2 ttm -61.42 -45.91 92.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.505 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.462 HD11 ' HG ' ' A' ' 105' ' ' LEU . 40.3 mm -63.7 -45.77 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.791 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 123' ' ' GLU . 88.8 mtm180 -59.0 -43.51 91.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.867 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -63.72 -35.35 80.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.746 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.28 -22.45 26.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.69 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 42.9 t0 -71.93 104.55 3.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.279 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.4 mm -68.08 -43.73 85.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.848 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 17.6 p-10 -92.63 9.62 33.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.73 41.05 4.2 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 35.4 p-10 -84.46 -1.4 55.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.728 0.299 . . . . 0.0 110.55 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 80.67 -5.2 65.68 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -138.97 155.13 48.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.9 t -92.7 129.1 43.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.497 ' ND2' ' OE2' ' A' ' 140' ' ' GLU . 86.3 m-20 -97.33 158.49 15.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.395 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CE2' ' CD2' ' A' ' 89' ' ' PHE . 1.4 t80 -57.12 -53.04 62.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.522 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 54.6 mp0 -58.03 -36.46 72.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.197 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.497 ' OE2' ' ND2' ' A' ' 137' ' ' ASN . 38.6 mt-10 -73.61 -36.52 65.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.97 -50.02 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.524 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.42 -45.73 89.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.142 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 147' ' ' ALA . 57.7 tt0 -65.14 -45.2 85.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.29 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.46 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.5 tmm? -58.31 -32.26 68.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.272 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.4 mmm -88.25 -30.86 19.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.684 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m -99.96 12.78 35.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.394 . . . . 0.0 110.56 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -60.31 142.91 54.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.455 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.636 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.402 ' HG ' ' CD2' ' A' ' 59' ' ' HIS . 78.0 p -63.52 -35.12 79.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.899 0.38 . . . . 0.0 110.614 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 82.8 t60 49.24 70.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 61' ' ' HIS . 87.3 m-70 -66.43 -41.31 89.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.479 ' CD2' ' CD2' ' A' ' 61' ' ' HIS . 1.8 t60 54.25 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.434 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.525 ' N ' ' O ' ' A' ' 59' ' ' HIS . 99.3 m-70 -82.58 133.71 35.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -155.85 -78.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -80.09 127.95 32.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.93 -105.89 0.21 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 p -155.93 162.9 40.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.3 p -158.68 42.89 0.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.0 170.12 39.15 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -139.1 -95.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.196 0 O-C-N 122.7 -0.294 . . . . 0.0 110.611 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.27 -39.94 95.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.28 -32.43 73.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.219 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.21 -46.9 87.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.334 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -63.47 -40.17 96.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.63 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.55 -28.18 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.427 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.7 t -58.77 -36.14 73.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.439 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.46 -41.15 98.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.5 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 145' ' ' MET . 31.0 mmm -70.41 -1.79 11.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -82.19 145.11 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -98.76 -160.38 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.015 0.436 . . . . 0.0 110.536 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.1 p -132.18 164.49 26.21 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.561 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -62.23 -44.56 96.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.647 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 m -83.01 89.69 6.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.49 -32.42 72.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.423 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.24 -34.88 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.546 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.88 -34.13 77.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.522 HG23 ' SD ' ' A' ' 145' ' ' MET . 95.3 mt -62.28 -42.87 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -56.93 -44.19 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.437 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.39 -36.38 81.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.542 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.17 86.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -60.87 -44.69 96.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.496 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -58.73 -45.58 89.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.63 -41.25 90.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.296 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -72.14 -28.15 63.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.449 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -86.23 75.93 9.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.5 -41.42 94.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.481 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 97' ' ' ASN . 12.2 m-20 -78.79 -1.84 36.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.3 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.81 19.84 0.07 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 95' ' ' ASP . 30.5 p-10 -75.09 -9.85 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.499 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.87 11.8 64.92 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.26 142.76 47.44 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.987 0.423 . . . . 0.0 110.609 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -104.99 116.31 48.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 121.056 0.455 . . . . 0.0 110.15 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -93.66 179.85 5.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.687 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.24 95.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.439 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.14 -48.37 70.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.223 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.07 -35.89 78.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.278 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.39 -29.49 69.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.043 0.449 . . . . 0.0 110.605 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -69.67 -42.36 74.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.902 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.411 ' O ' ' OG1' ' A' ' 110' ' ' THR . 70.4 m-70 -56.0 -41.87 75.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.58 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.591 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 62.1 mtt -63.93 -40.57 96.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 25.8 p -62.09 -40.73 96.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.478 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -63.19 -39.11 93.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.07 -9.32 58.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.506 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 93.45 -16.35 60.86 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -69.92 125.29 26.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.488 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -121.71 112.97 19.06 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.0 mt -114.18 162.97 15.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.458 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 118' ' ' ASP . 7.0 m -76.41 164.06 26.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.372 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.465 ' N ' HG22 ' A' ' 117' ' ' THR . 53.7 t0 -62.07 -39.79 93.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.788 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.87 -36.51 80.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.11 -42.45 93.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.689 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.63 -45.84 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.99 -43.98 91.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.513 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -67.79 -38.42 83.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mmm -62.29 -42.58 99.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.719 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.8 mt -62.86 -45.38 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -62.19 -43.6 98.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.729 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.31 -40.47 81.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.67 -27.07 45.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.795 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 39.9 t0 -70.47 106.12 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.574 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.06 -41.83 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.803 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 17.1 m-20 -79.81 1.96 24.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.546 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.62 25.52 0.32 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.532 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 33.8 p-10 -82.32 -1.31 49.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.597 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.93 -2.37 83.86 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.439 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 94.2 mt-30 -140.86 158.66 43.63 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.018 0.437 . . . . 0.0 110.491 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.84 127.98 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 121.082 0.467 . . . . 0.0 110.375 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -93.16 170.27 9.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -60.43 -50.67 72.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.437 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.32 -39.0 91.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.623 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.412 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 5.6 tt0 -69.12 -38.48 78.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.65 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.8 -47.43 85.75 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.989 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 77.7 t -57.57 -47.31 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.39 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.571 ' O ' ' N ' ' A' ' 147' ' ' ALA . 96.5 mt-30 -66.75 -43.81 83.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 83.5 mtp -59.65 -36.84 77.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.522 ' SD ' HG23 ' A' ' 85' ' ' ILE . 2.6 ttt -77.09 -28.64 54.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 p -97.86 -8.82 27.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.654 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -64.97 140.22 58.84 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.069 0.462 . . . . 0.0 110.321 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.591 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -81.77 -4.65 56.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.721 0.296 . . . . 0.0 110.527 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.455 ' O ' ' NE2' ' A' ' 61' ' ' HIS . 78.0 m80 -68.96 138.06 54.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.27 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -113.67 -151.89 0.49 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.342 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 80.5 m80 44.91 42.78 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.455 ' NE2' ' O ' ' A' ' 58' ' ' HIS . 32.6 m170 -66.84 -42.3 86.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.571 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -88.99 125.74 35.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -91.91 110.8 22.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.21 -109.83 0.69 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.8 t 56.14 56.7 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.959 0.409 . . . . 0.0 110.527 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -88.46 2.9 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.448 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.2 18.69 48.99 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -71.93 152.98 42.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 110.597 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -63.51 -33.28 75.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.616 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.0 mp -59.76 -18.34 42.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.384 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.77 -46.73 86.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.55 -39.31 94.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.554 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.55 -25.37 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.553 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 p -57.8 -31.91 67.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.464 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 75' ' ' LEU . 4.0 mm? -63.1 -42.05 99.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.775 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.3 mtp -72.76 4.12 4.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.483 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 148' ' ' LYS . 68.6 mttm -116.05 -165.09 1.01 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.211 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.1 t70 73.78 77.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.798 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 t -150.03 146.67 27.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.561 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -157.57 25.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -156.39 81.38 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.51 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -55.41 -33.08 63.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.99 -38.16 90.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.692 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -64.45 -33.1 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.439 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.82 -44.46 99.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.441 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.94 -46.83 82.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.588 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.41 -43.12 82.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.62 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.92 80.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.306 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.16 -46.3 90.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -62.73 -45.75 91.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.57 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.34 -39.2 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.331 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.01 -25.06 62.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.224 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 28.6 t0 -85.24 85.6 7.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 0.0 110.56 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -60.83 -43.51 98.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.743 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ASN . 18.7 m-20 -79.57 -1.09 36.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.206 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.04 20.25 0.08 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 95' ' ' ASP . 39.0 p-10 -78.12 -4.03 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 0.0 110.508 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.512 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 83.89 15.49 70.05 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -139.98 146.46 39.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.61 0.243 . . . . 0.0 110.377 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.3 mm -109.47 121.48 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.269 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -99.48 179.73 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.401 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.45 -46.75 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.363 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.66 -49.04 66.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.097 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.7 -37.72 82.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.073 0.463 . . . . 0.0 110.253 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.59 -30.39 71.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.818 0.818 . . . . 0.0 110.357 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 110' ' ' THR . 61.7 ttp180 -73.39 -45.02 57.25 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.551 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -61.66 -45.07 95.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.239 0.542 . . . . 0.0 110.942 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 109' ' ' MET . 5.8 p -69.86 -43.21 79.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.554 ' SD ' HD12 ' A' ' 116' ' ' LEU . 20.6 ttm -69.83 -48.14 60.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.307 -178.727 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 106' ' ' ARG . 5.4 t -62.51 -32.05 72.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.566 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -62.89 -28.72 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.116 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mt -78.35 -3.69 44.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.688 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.97 52.44 2.77 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -141.66 126.75 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.42 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -109.69 106.08 15.59 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.26 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.554 HD12 ' SD ' ' A' ' 109' ' ' MET . 47.0 mt -118.22 159.12 23.87 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.287 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.433 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 7.3 p -82.12 168.26 17.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.3 p-10 -63.8 -38.98 93.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.506 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.5 mt-10 -67.07 -37.92 84.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.62 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -64.91 -43.7 91.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.69 -44.92 99.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.449 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -60.33 -45.72 92.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -66.75 -39.94 88.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.9 ttt -60.91 -46.81 89.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.68 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.07 -43.59 97.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.452 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -61.75 -44.66 96.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.449 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -71.25 -36.37 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.21 65.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.76 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 67.8 t0 -76.32 128.92 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.673 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.4 ' N ' ' OD1' ' A' ' 129' ' ' ASP . 35.6 mm -66.84 -44.69 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 17.6 p30 -90.0 13.27 15.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.82 43.23 4.11 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.422 ' OD2' ' CG ' ' A' ' 131' ' ' ASP . 94.4 m-20 -84.15 -3.6 58.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.699 0.285 . . . . 0.0 110.405 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.08 -4.9 52.76 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -135.15 148.9 49.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.809 0.338 . . . . 0.0 110.095 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.9 t -108.09 121.62 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.361 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 4.8 p-10 -96.97 -175.92 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.365 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -61.2 -46.62 89.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.23 -42.93 99.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 93.9 mt-10 -73.09 -38.19 66.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.49 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 79.6 t80 -61.18 -52.12 66.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.442 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.0 t -58.46 -47.1 89.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 147' ' ' ALA . 22.3 mm100 -66.16 -44.16 84.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.805 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.2 tmm? -56.81 -34.93 68.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.426 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 32.7 mtt -92.53 -32.57 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.722 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 m -94.75 12.51 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 110.431 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -60.44 144.68 50.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.462 ' O ' ' NZ ' ' A' ' 77' ' ' LYS . 64.3 tttm . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.3 p -87.97 113.21 23.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.5 m80 41.07 86.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.621 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.1 p-80 -139.9 39.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.498 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -148.04 0.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.52 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.52 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 70.9 m80 41.0 46.24 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 56.23 80.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.562 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 61' ' ' HIS . 71.6 m80 -153.15 132.09 12.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.536 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.99 -131.6 52.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.1 m -72.64 145.24 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.504 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.7 m -60.47 -41.97 95.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.96 -83.17 0.04 OUTLIER Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 55.0 mp0 -138.61 155.41 48.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.429 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.01 -36.48 84.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.6 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -62.65 -35.05 78.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.825 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -56.85 -45.51 82.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.379 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -61.42 -43.47 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.647 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.83 -25.53 67.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -58.84 -32.26 69.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 75' ' ' LEU . 4.0 mm? -62.6 -36.43 82.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.719 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.8 mtt -63.15 -5.18 2.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.398 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 64.0 tttp -69.75 111.01 5.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.471 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 61.9 m-20 -161.65 100.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.473 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.3 t -152.11 157.6 41.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.571 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 81' ' ' SER . 2.3 p30 -165.84 -37.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.616 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.53 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -163.54 124.18 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.513 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -50.72 -44.51 58.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' A' ' 87' ' ' GLU . 96.3 mt-10 -63.37 -41.82 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.763 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -62.51 -38.6 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.737 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.584 HG23 ' SD ' ' A' ' 145' ' ' MET . 95.1 mt -64.36 -44.87 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -58.51 -44.73 89.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.341 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.5 OUTLIER -67.7 -37.14 81.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 179.466 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.73 88.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.556 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.37 -45.03 84.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.47 -44.83 96.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.611 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.37 -40.64 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 96.6 mt-10 -70.48 -24.96 62.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.462 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.514 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.4 t0 -90.24 69.82 7.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.362 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 95' ' ' ASP . 59.6 pttt -62.27 -42.09 99.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 37.8 p-10 -79.79 -2.44 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.471 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.41 20.77 46.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.5 p-10 -68.74 -25.04 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 87.85 20.5 50.2 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.511 ' C ' HD12 ' A' ' 100' ' ' ILE . 58.8 m-85 -145.92 149.55 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.347 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.598 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.7 mp -101.9 115.81 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.23 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 15.3 t -96.52 179.99 4.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.716 179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -57.71 -48.36 79.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.515 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.93 -46.08 74.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.271 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 45.3 mt-10 -71.51 -38.62 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.04 -31.81 73.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -69.79 -38.86 76.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.609 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -56.16 -43.16 78.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.328 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.98 -47.81 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.578 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 52.3 mtt -65.89 -40.49 91.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 m -63.25 -42.14 99.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.41 -36.12 77.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.439 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.09 -11.68 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.673 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.79 -21.43 45.01 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.47 132.03 46.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.445 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.431 ' C ' HD12 ' A' ' 116' ' ' LEU . 34.8 pttt -113.52 110.83 20.91 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.093 0.473 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.8 mp -107.07 146.48 31.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 121' ' ' VAL . 20.0 p -75.04 166.13 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.392 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 38.7 p-10 -64.26 -38.79 92.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.517 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.3 mt-10 -68.36 -39.13 81.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.787 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.07 -38.84 92.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 117' ' ' THR . 67.4 t -62.91 -46.02 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.377 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -60.45 -45.02 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -68.49 -38.75 81.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.637 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 124' ' ' MET . 2.0 tmt? -61.35 -45.07 95.94 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -62.86 -44.47 99.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.509 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.95 -44.95 91.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.793 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.58 -32.58 68.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.445 ' O ' ' CE ' ' A' ' 144' ' ' MET . . . -84.54 -29.54 25.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.537 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 37.3 t0 -72.54 106.93 4.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.618 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.0 mt -69.21 -40.3 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.561 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.53 -2.67 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.245 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.4 30.11 1.94 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.537 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 30.0 p-10 -86.49 -3.34 59.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.527 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.42 -3.38 85.04 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -140.11 156.12 46.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.07 0.462 . . . . 0.0 110.302 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.1 t -99.04 130.49 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.437 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 22.7 t-20 -96.53 165.21 12.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.435 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.445 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 83.7 t80 -59.39 -50.73 72.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.249 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.02 -38.41 86.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -70.34 -40.78 73.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 120.738 0.304 . . . . 0.0 110.5 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.35 -49.09 78.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.36 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.21 -47.76 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.178 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 147' ' ' ALA . 65.8 tt0 -65.6 -45.2 84.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.492 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.445 ' CE ' ' O ' ' A' ' 128' ' ' ALA . 39.8 ttm -61.84 -33.87 74.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.394 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.584 ' SD ' HG23 ' A' ' 85' ' ' ILE . 3.1 ttt -78.09 -35.41 49.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 p -86.32 -14.13 44.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -59.91 138.41 57.83 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.455 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.566 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.5 m -60.97 -41.07 95.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.56 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 169.46 23.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.589 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 54.94 13.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.625 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -64.97 -39.12 93.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -58.43 -41.95 86.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.513 ' NE2' ' N ' ' A' ' 65' ' ' SER . 85.1 t60 -162.44 117.54 1.86 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.39 -45.58 79.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 65' ' ' SER . . . 142.76 106.05 0.56 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.513 ' N ' ' NE2' ' A' ' 62' ' ' HIS . 4.9 m 45.16 95.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.544 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 65' ' ' SER . 2.2 p 77.42 175.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.51 ' C ' ' H ' ' A' ' 69' ' ' ASN . . . 167.94 -155.68 26.68 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -71.38 34.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.884 0.373 . . . . 0.0 110.697 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.51 ' H ' ' C ' ' A' ' 67' ' ' GLY . 48.0 t30 -64.61 -36.52 84.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.14 -39.66 90.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.51 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -59.8 -48.38 81.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -61.98 -45.41 93.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.572 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -62.51 -25.72 68.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.412 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.473 ' O ' ' O ' ' A' ' 77' ' ' LYS . 5.0 t -59.93 -37.68 80.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.56 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.2 mp -63.32 -40.3 96.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.464 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.5 mtp -70.05 -5.49 27.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.664 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 74' ' ' SER . 34.1 ttpt -131.46 121.01 23.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.11 0.481 . . . . 0.0 110.593 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 98.8 m-20 -138.19 -81.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 p -76.6 168.61 19.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.401 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -126.89 -35.03 2.32 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.536 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -61.73 108.19 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.215 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.592 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 2.7 pm0 -52.48 -31.85 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.02 -39.0 93.11 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -66.42 -33.02 74.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.458 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.29 -49.73 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.423 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -64.63 -45.94 84.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.705 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -64.24 -47.83 78.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.565 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.419 ' O ' ' OE2' ' A' ' 92' ' ' GLU . . . -57.95 -41.48 82.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.365 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 72.7 t80 -56.76 -45.37 82.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.342 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -63.52 -43.69 96.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.929 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.17 -42.01 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.042 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -70.29 -21.24 62.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.196 -179.687 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 97.3 m-20 -91.82 69.84 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.318 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.66 -40.94 93.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 35.2 p-10 -80.17 -2.41 44.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.435 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.49 20.81 52.75 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 49.6 p-10 -69.23 -25.45 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.6 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 83.64 24.88 48.59 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -143.33 143.94 31.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.915 0.388 . . . . 0.0 110.521 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 mm -99.51 110.79 27.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.081 0.467 . . . . 0.0 110.486 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 p -96.69 178.26 5.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.529 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.9 80.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.409 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.0 -47.38 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.341 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.65 -40.27 76.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.505 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.489 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.7 tp -65.2 -31.85 73.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -69.3 -42.54 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.981 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -56.19 -41.66 75.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.295 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.22 -45.35 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.436 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.99 -39.67 95.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.6 m -63.52 -41.09 98.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.261 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 98.7 m-20 -61.51 -36.96 82.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.187 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.3 mt -76.04 -3.33 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.69 28.11 30.31 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -124.39 142.39 51.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.922 0.391 . . . . 0.0 110.391 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -131.94 120.88 23.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 mt -115.28 158.24 22.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.441 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 118' ' ' ASP . 6.5 m -75.4 166.31 23.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.455 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.484 ' N ' HG22 ' A' ' 117' ' ' THR . 96.6 m-20 -63.13 -41.56 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.611 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.19 -36.73 77.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.576 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.98 -41.19 95.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.53 -45.69 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.467 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.18 -47.23 84.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.449 ' O ' ' OE2' ' A' ' 127' ' ' GLU . 80.1 mm-40 -67.14 -39.56 86.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.19 -44.19 92.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.534 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.2 mt -63.2 -43.33 98.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.381 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -60.12 -45.55 92.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.57 ' N ' ' OE1' ' A' ' 127' ' ' GLU . 0.4 OUTLIER -68.64 -34.33 75.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.746 179.786 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.22 -30.66 27.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.72 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.552 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 64.9 t0 -67.41 115.56 7.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.1 -43.79 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -89.72 5.08 47.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.568 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.7 38.66 3.19 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.552 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.2 p-10 -87.35 -5.26 58.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.295 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.87 -6.74 61.25 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -137.11 150.39 47.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 110.42 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.9 t -102.83 122.22 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.96 0.409 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.52 172.2 8.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.634 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.417 ' O ' HG23 ' A' ' 142' ' ' VAL . 90.6 t80 -59.48 -48.0 83.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.488 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -63.84 -43.06 97.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.689 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -68.93 -38.81 79.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.708 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -60.88 -48.28 82.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.216 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 138' ' ' TYR . 78.5 t -57.37 -44.47 84.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.148 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 147' ' ' ALA . 88.8 mt-30 -65.1 -46.58 80.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.603 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.6 ttm -58.51 -33.02 69.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.216 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 82.8 mmm -81.25 -33.01 33.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.804 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.686 ' O ' HG22 ' A' ' 146' ' ' THR . 88.4 m -100.89 10.25 41.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.7 112.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 79.1 tttt . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.516 -179.877 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.2 m -132.37 153.21 51.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 110.566 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 57.0 t-80 56.3 10.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -139.55 61.32 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.465 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 63' ' ' HIS . 72.0 m80 -100.26 44.99 0.99 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.419 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -67.05 -43.67 82.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.723 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.5 -42.51 92.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 60' ' ' HIS . 29.1 m170 -108.86 121.57 45.37 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.524 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.43 44.38 3.17 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.0 p -60.25 -34.76 74.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 0.0 110.488 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.2 t -78.63 170.99 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.532 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.43 18.57 56.83 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.28 157.09 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.748 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -65.39 -38.32 89.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.961 0.41 . . . . 0.0 110.632 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.49 -26.24 64.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.905 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -56.55 -41.48 76.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.387 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -59.85 -41.87 92.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.501 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -64.72 -24.47 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.559 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -56.69 -32.64 65.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.433 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 75' ' ' LEU . 4.0 mm? -62.62 -41.45 99.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.8 mtp -75.69 6.43 4.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.449 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -132.73 -165.94 1.68 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.405 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.9 t0 65.64 120.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.595 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -146.4 156.25 43.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -127.17 -76.37 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.2 m -127.72 127.64 44.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.983 0.42 . . . . 0.0 110.544 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.78 -34.47 59.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.509 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.46 -35.33 80.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.645 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.94 -36.23 82.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.475 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.0 mt -64.38 -42.84 96.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.429 ' NH1' ' OH ' ' A' ' 138' ' ' TYR . 91.5 mtt-85 -61.68 -43.33 99.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.733 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.454 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 98.5 mt-10 -66.91 -41.25 87.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.86 -40.48 72.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.058 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.13 -45.0 83.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.312 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 87' ' ' GLU . 86.0 mtm180 -59.94 -45.34 92.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.394 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.2 t -58.21 -41.03 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -72.5 -21.1 61.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.449 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 36.0 t0 -100.45 66.04 1.24 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.245 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -60.56 -37.5 81.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -78.97 4.07 15.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.13 24.76 67.46 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.655 HD22 ' HB2' ' A' ' 99' ' ' TYR . 5.8 t30 -86.45 118.86 26.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.338 0.59 . . . . 0.0 109.834 179.696 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.2 1.26 0.03 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.655 ' HB2' HD22 ' A' ' 97' ' ' ASN . 64.2 m-85 -128.42 143.25 50.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.056 0.455 . . . . 0.0 110.449 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -101.57 123.48 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.434 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -96.55 179.82 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.35 91.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.632 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.82 -49.38 65.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.462 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -66.24 -37.16 84.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.316 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.487 ' O ' HG12 ' A' ' 108' ' ' VAL . 47.5 tp -62.46 -31.35 72.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.235 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -73.96 -31.51 63.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 0.0 110.59 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -58.26 -42.22 85.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.782 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 105' ' ' LEU . 0.8 OUTLIER -65.49 -40.33 87.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.447 ' SD ' HD12 ' A' ' 116' ' ' LEU . 61.0 mtt -68.95 -37.34 78.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.207 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.4 m -59.17 -24.81 63.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.485 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 57.2 t-20 -56.98 -30.87 64.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.75 -33.41 70.77 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 120.734 0.302 . . . . 0.0 110.459 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.54 19.29 11.42 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -129.36 113.17 14.63 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.784 0.326 . . . . 0.0 110.275 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -82.41 139.15 34.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.447 HD12 ' SD ' ' A' ' 109' ' ' MET . 65.2 mt -108.6 163.49 13.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.369 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 118' ' ' ASP . 4.8 m -77.2 164.28 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.514 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.434 ' N ' HG22 ' A' ' 117' ' ' THR . 68.2 t0 -66.23 -41.15 90.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.67 -38.23 86.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -61.09 -45.09 96.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.793 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.3 -45.32 99.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -58.3 -48.46 80.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.939 0.399 . . . . 0.0 110.701 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.58 -39.65 88.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.5 tpt -60.28 -46.16 90.8 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.59 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -63.26 -43.17 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.295 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -60.09 -42.72 95.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.005 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.47 -39.11 85.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.3 -24.85 29.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.715 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 125' ' ' ILE . 42.0 t0 -78.23 100.8 6.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.57 -26.12 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.408 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -84.18 -1.42 55.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.457 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.21 25.84 0.47 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.449 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 31.5 p30 -90.69 -5.6 55.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.628 0.251 . . . . 0.0 110.568 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.56 2.57 69.37 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.523 ' NE2' ' CG ' ' A' ' 99' ' ' TYR . 53.1 tt0 -129.25 143.05 50.71 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.229 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -98.73 122.6 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.264 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -95.42 161.99 13.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.543 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.429 ' OH ' ' NH1' ' A' ' 86' ' ' ARG . 79.2 t80 -59.42 -49.15 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.407 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 45.7 mp0 -60.89 -39.92 91.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.452 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -71.02 -37.53 72.61 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.68 0.276 . . . . 0.0 110.504 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -60.91 -48.47 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.502 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.34 -45.07 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.169 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 147' ' ' ALA . 77.8 mt-30 -63.63 -47.56 80.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 110.733 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 61.8 ttp -58.95 -30.81 68.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.333 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 80.6 mmm -87.67 -32.95 18.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -96.31 8.8 43.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.524 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -65.94 134.29 52.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.677 179.85 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.2 m -71.24 144.92 49.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.431 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -74.19 147.67 42.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.64 -162.06 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.477 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -61.57 139.88 58.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.461 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -77.94 -77.47 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.612 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -165.9 100.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.595 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -157.03 155.03 30.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.618 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.78 153.22 6.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.9 p -156.54 34.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 110.574 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.5 t -79.22 174.64 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' C ' ' H ' ' A' ' 69' ' ' ASN . . . -162.9 176.28 39.19 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 65.46 -43.12 0.35 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.818 0.342 . . . . 0.0 110.735 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 67' ' ' GLY . 35.4 t30 -65.13 -37.04 86.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.9 -39.97 93.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.598 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.88 -42.04 97.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.367 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.51 -42.6 96.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.486 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -56.05 -26.38 48.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.4 m -60.17 -36.72 78.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 75' ' ' LEU . 10.3 mp -64.18 -40.13 95.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.471 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.8 mtt -69.6 -11.34 60.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.665 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -94.44 -168.95 1.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.473 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 70.62 63.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 81' ' ' SER . 21.6 p -78.23 -15.65 58.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.713 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.6 t0 55.06 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 79' ' ' THR . 13.3 t -140.81 123.24 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.447 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.468 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 56.2 mp0 -54.16 -38.9 66.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.748 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -64.42 -37.97 89.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.76 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -66.03 -36.03 82.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.463 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.5 -43.85 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.432 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' A' ' 82' ' ' GLU . 83.4 mtt85 -61.23 -43.51 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.558 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -65.92 -43.62 87.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.43 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.87 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.425 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.48 -46.46 90.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.367 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' A' ' 90' ' ' ARG . 59.4 ttm-85 -63.7 -47.09 82.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.384 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.57 -41.12 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.207 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 104' ' ' GLU . 45.0 tp10 -71.23 -23.83 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.332 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -87.01 77.86 9.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.481 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -60.69 -41.89 96.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.664 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 97' ' ' ASN . 7.9 m-20 -77.65 -2.46 36.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.333 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.26 21.55 0.74 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' ASP . 27.5 p-10 -78.18 -10.34 59.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 110.606 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.63 21.52 57.87 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -142.92 146.3 33.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.382 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.9 mm -109.68 122.27 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.996 0.426 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 11.3 t -97.97 179.71 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.426 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.489 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -57.37 -47.08 82.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.551 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.56 -49.01 73.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.55 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' A' ' 92' ' ' GLU . 41.7 mt-10 -71.46 -40.35 70.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.06 -33.14 74.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -71.26 -34.65 70.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.462 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -55.7 -41.04 73.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.173 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.66 -45.69 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.3 mmt -61.94 -37.74 85.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.531 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 m -57.56 -39.4 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -58.45 -37.19 74.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 112' ' ' LEU . 11.2 mp -69.82 -31.35 69.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.401 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.19 30.11 5.8 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -108.93 133.23 53.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.088 0.471 . . . . 0.0 110.214 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -103.77 107.13 17.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.6 mt -110.87 145.9 37.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.1 p -77.04 169.2 18.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.407 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 39.2 p-10 -62.94 -41.41 99.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 79.4 tt0 -68.91 -40.06 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.657 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -61.71 -40.96 96.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.26 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.37 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.45 -49.1 79.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.499 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.57 -36.6 83.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.726 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 tpp -59.39 -39.55 83.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.96 0.409 . . . . 0.0 110.355 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -67.11 -42.49 88.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.63 -47.01 85.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.391 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.57 -34.09 77.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.46 -28.2 31.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.549 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 42.9 t0 -67.5 110.05 3.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.235 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.9 mt -70.43 -44.34 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.981 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -93.28 8.48 40.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.705 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.19 45.44 6.32 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.56 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 36.3 p-10 -92.62 0.28 57.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.508 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.406 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 75.48 -10.77 10.93 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -136.55 150.93 48.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.448 . . . . 0.0 110.546 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.1 t -95.88 124.19 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.079 0.466 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 85.0 m-20 -92.41 162.09 14.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.38 -49.96 75.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.343 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.48 -39.03 82.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.458 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.67 -33.84 64.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.693 0.282 . . . . 0.0 110.451 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.5 -50.0 73.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.399 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.98 -47.37 90.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.234 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' A' ' 147' ' ' ALA . 78.1 mt-30 -66.53 -47.46 72.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.009 0.433 . . . . 0.0 110.752 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 144' ' ' MET . 12.5 tmm? -60.26 -32.6 71.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.3 mmm -74.78 -39.45 61.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 146' ' ' THR . 86.2 m -104.3 13.11 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.616 -179.402 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.88 105.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.461 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.614 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -68.03 147.5 52.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 110.535 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -65.2 -39.56 92.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -85.0 62.51 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.499 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.33 -88.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 62' ' ' HIS . 86.4 t60 -165.58 140.42 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 99.2 m-70 -102.36 -169.58 1.69 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.563 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.0 m80 55.02 176.35 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.451 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.78 168.26 38.87 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 t -70.02 62.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.492 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.3 p -65.46 -32.68 74.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.496 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.1 38.08 48.16 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.02 -34.54 72.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.775 0.322 . . . . 0.0 110.461 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -61.76 -44.42 96.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.53 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -65.41 -40.52 93.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.812 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.15 -37.44 87.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.288 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.97 -42.62 90.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -58.75 -30.05 67.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.635 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.4 m -60.04 -38.1 81.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.2 mp -61.81 -42.16 98.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.374 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.437 ' O ' ' O ' ' A' ' 77' ' ' LYS . 42.2 mtt -71.71 -7.23 46.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.777 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 76' ' ' MET . 64.5 mttp 55.75 159.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.584 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -159.93 95.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.428 ' OG1' HD11 ' A' ' 85' ' ' ILE . 74.4 p -85.74 167.08 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.335 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -117.25 60.7 0.75 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.609 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.8 p -166.36 94.22 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.387 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -51.28 -37.89 49.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.404 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -63.59 -36.7 84.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.558 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -64.29 -34.43 78.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.419 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.428 HD11 ' OG1' ' A' ' 79' ' ' THR . 28.1 mm -61.82 -46.51 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.498 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -63.19 -44.18 96.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 91' ' ' VAL . 94.2 mt-10 -67.37 -44.56 78.66 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 121.182 0.515 . . . . 0.0 110.477 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' O ' ' OE1' ' A' ' 92' ' ' GLU . . . -63.06 -48.3 79.26 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.92 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -55.64 -55.22 34.63 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.521 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 91' ' ' VAL . 14.7 ptm180 -63.44 -44.62 94.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 0.0 111.093 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.2 t -58.23 -41.37 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 92' ' ' GLU . 1.2 mp0 -71.87 -17.14 62.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.282 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 15.4 t0 -85.36 83.03 8.09 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.241 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.02 -45.13 93.79 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 120.801 0.334 . . . . 0.0 111.069 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.54 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 25.1 p-10 -81.23 -1.78 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.545 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 51.11 22.74 6.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.54 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 44.4 p-10 -72.16 -11.23 60.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.532 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 81.74 23.5 57.78 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -143.05 145.16 32.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.867 0.365 . . . . 0.0 110.479 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -104.17 119.68 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.317 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.5 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 8.2 t -109.03 179.06 4.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.467 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ALA . . . . . 0.5 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -54.28 -44.79 72.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.04 -48.5 70.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.208 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.25 -36.84 69.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.923 0.392 . . . . 0.0 110.449 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -62.36 -31.35 71.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.243 0.544 . . . . 0.0 110.008 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -65.68 -39.35 91.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -54.66 -41.55 70.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.213 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 88.9 t -66.1 -44.44 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.431 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.445 ' SD ' HD12 ' A' ' 116' ' ' LEU . 57.7 mtt -63.73 -41.84 97.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.35 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.7 m -60.51 -40.33 91.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.11 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -58.53 -31.75 68.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.279 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.3 -20.39 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.33 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.46 22.28 44.58 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -139.52 104.39 4.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.894 0.378 . . . . 0.0 110.45 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -82.43 140.62 33.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.324 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.445 HD12 ' SD ' ' A' ' 109' ' ' MET . 49.1 mt -112.35 163.08 14.83 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -75.45 164.36 26.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.522 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.49 -40.71 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.4 mp0 -67.27 -38.33 84.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.688 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -61.42 -45.68 93.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.89 -45.98 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.575 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -58.65 -48.96 79.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.768 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.27 -36.84 84.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.688 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ttt -61.86 -41.08 97.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.487 . . . . 0.0 110.511 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 129' ' ' ASP . 97.1 mt -67.32 -42.85 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.988 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.87 -44.99 95.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.608 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.73 -30.63 64.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.06 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.64 -29.78 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.714 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.553 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 62.9 t0 -65.97 115.66 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.5 mt -70.18 -44.05 78.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -91.28 7.71 39.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.659 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.96 37.1 2.06 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.553 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 46.8 p-10 -85.2 -2.37 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.478 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.7 -6.41 54.05 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -131.85 144.95 51.26 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.213 0.53 . . . . 0.0 110.511 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.72 124.24 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -98.17 170.75 8.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.701 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -61.52 -47.54 85.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.55 -40.85 88.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.67 -43.73 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.453 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -60.84 -50.59 72.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.267 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.25 -43.76 86.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.949 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -61.01 -48.9 79.67 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.472 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.9 mtm -65.18 -34.56 78.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.012 0.434 . . . . 0.0 110.533 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.401 ' HE2' ' H ' ' A' ' 79' ' ' THR . 0.7 OUTLIER -75.25 -39.65 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.634 ' O ' HG22 ' A' ' 146' ' ' THR . 34.6 m -99.33 14.04 31.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.781 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.67 131.24 48.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.395 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt . . . . . 0 C--O 1.222 -0.366 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.785 -179.836 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 p -157.26 161.7 39.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.435 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 14.1 p-80 -95.81 46.2 1.09 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.436 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -71.73 145.11 49.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.411 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -106.4 142.99 35.16 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.388 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -71.78 130.33 40.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.342 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -108.06 128.37 54.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -61.77 -42.07 98.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.473 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.45 108.97 0.23 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.6 p -66.52 -43.38 85.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.68 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.8 t -78.53 142.58 37.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.74 77.85 1.18 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -79.34 168.7 19.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 0.0 110.518 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.2 -33.34 75.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.4 mp -61.65 -38.69 88.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.488 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -59.37 -48.79 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -67.04 -37.72 84.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.641 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -62.49 -31.56 72.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 77' ' ' LYS . 57.3 m -58.09 -39.2 77.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.609 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.3 mp -63.1 -40.07 96.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 144' ' ' MET . 50.9 mmm -71.33 0.02 9.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.609 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' SER . 34.8 ttmt -134.52 144.21 47.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -147.26 -82.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.714 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.6 p -87.03 113.05 22.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.68 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.5 -44.09 92.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.598 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 t -57.28 109.04 0.6 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.432 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -53.34 -34.14 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.651 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.89 -38.57 91.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.716 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.47 -32.4 73.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.758 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.74 -45.99 96.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.464 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.91 -44.9 91.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.386 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.67 -36.65 81.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.567 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.64 86.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -56.45 -44.08 80.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.26 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -55.76 -45.01 78.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.231 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 93' ' ' ASP . 94.5 t -66.48 -42.1 89.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.419 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -72.99 13.73 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.415 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 91' ' ' VAL . 4.3 m-20 -149.88 65.31 0.98 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.025 0.44 . . . . 0.0 110.686 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -58.53 -32.06 68.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -77.89 -1.0 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.582 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.59 30.95 79.31 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.6 ' C ' ' H ' ' A' ' 99' ' ' TYR . 3.3 t-20 -89.01 117.26 27.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.232 0.539 . . . . 0.0 110.43 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.03 -0.51 0.05 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.6 ' H ' ' C ' ' A' ' 97' ' ' ASN . 91.0 m-85 -129.82 149.88 51.36 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.9 mt -107.11 127.29 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.333 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.4 p -101.28 179.37 4.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.392 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.21 92.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.716 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.44 -47.29 66.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.141 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -70.57 -34.38 72.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.004 0.43 . . . . 0.0 109.978 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.61 -32.57 73.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.269 0.556 . . . . 0.0 110.384 -179.615 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.96 -35.48 80.81 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.729 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' HIS . . . . . 0.446 ' O ' ' OG1' ' A' ' 110' ' ' THR . 28.1 m170 -54.42 -40.35 68.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.917 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.73 -44.74 94.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.225 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -61.83 -40.4 95.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.538 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 69.1 p -63.09 -33.04 74.59 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.487 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -64.06 -41.82 97.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.555 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 112' ' ' LEU . 11.0 mp -72.06 -30.88 65.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.06 -14.7 44.39 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.71 145.05 52.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.673 0.273 . . . . 0.0 110.314 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -115.96 113.42 23.25 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.982 0.42 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.6 mt -118.22 158.85 24.37 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.211 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.9 p -83.5 167.68 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.388 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.61 -40.61 97.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.743 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.49 -39.24 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.62 -38.88 92.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.55 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.82 -46.94 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.435 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.28 -46.1 91.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.32 -36.87 82.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.579 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 37.7 tpp -61.61 -45.14 95.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.441 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.8 mt -63.33 -42.97 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.3 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -56.92 -42.1 79.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.462 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.25 -36.29 83.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.564 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.78 -24.06 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 50.1 t0 -62.0 111.42 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.358 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 mm -68.53 -44.53 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.253 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 39.6 p30 -98.2 14.36 28.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.991 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.46 35.15 1.86 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.536 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.4 p-10 -80.11 -1.52 40.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.655 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 79.28 -3.07 68.13 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -140.22 157.34 45.74 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 110.329 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.9 t -98.68 122.09 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.147 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -91.92 161.15 14.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.362 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -59.3 -50.22 74.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.35 -37.89 79.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.39 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.418 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 39.3 mt-10 -75.28 -32.69 61.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.93 -47.79 84.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.394 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.41 -45.93 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.001 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 147' ' ' ALA . 77.7 mm-40 -65.55 -45.24 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.523 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' MET . 52.8 ttm -59.12 -32.88 70.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.301 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 17.8 tpp -86.65 -33.52 20.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.429 ' O ' HG22 ' A' ' 146' ' ' THR . 8.9 m -94.92 3.87 54.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 110.682 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -58.2 140.41 53.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.416 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 148' ' ' LYS . 22.1 pttp . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.531 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.1 m -70.92 145.69 49.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.511 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' C ' ' ND1' ' A' ' 58' ' ' HIS . 9.7 p80 -81.83 154.77 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.56 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -150.61 149.98 30.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.544 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -98.14 65.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.59 -46.83 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.545 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.461 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 27.0 t-80 -160.57 168.03 25.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.461 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 90.1 m-70 -59.48 -46.48 88.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.651 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.82 119.54 5.27 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -155.87 158.89 38.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.525 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.3 p -79.39 161.73 25.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.599 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.24 1.46 90.43 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -113.9 38.61 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.746 0.308 . . . . 0.0 110.637 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -64.03 -28.44 69.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.95 -32.89 74.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.507 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -57.82 -45.47 86.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.517 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.96 -45.0 96.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.555 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -67.22 -29.58 69.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.6 m -59.04 -32.75 70.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.524 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.02 -44.63 96.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.657 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.9 mtt -75.88 -6.11 49.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.62 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -95.06 127.61 41.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.606 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -169.49 124.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.525 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 p -112.64 132.07 55.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.621 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 81' ' ' SER . 53.3 p-10 -168.64 55.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.548 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 80' ' ' ASP . 1.3 m 59.23 117.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.556 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.43 -32.74 58.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.475 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.38 -40.85 98.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.769 -178.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -58.48 -31.32 67.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.0 mm -59.39 -43.7 90.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.15 -46.41 90.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.63 -36.84 76.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.42 -43.83 84.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.532 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -56.79 -43.9 81.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -58.28 -45.35 88.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' A' ' 93' ' ' ASP . 94.8 t -69.64 -41.0 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.666 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 97.4 mt-10 -73.45 10.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 91' ' ' VAL . 43.8 t0 -130.87 68.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.671 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.24 -40.11 89.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.609 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 97' ' ' ASN . 5.2 m-20 -76.01 -2.73 32.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.281 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.15 19.89 0.45 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 9.9 p-10 -73.17 -12.76 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.377 . . . . 0.0 110.562 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.02 15.57 62.58 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.49 ' C ' HD12 ' A' ' 100' ' ' ILE . 96.3 m-85 -138.97 143.24 38.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.555 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.51 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.5 mp -101.08 121.13 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.3 p -98.3 179.42 4.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.623 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.08 83.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.616 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.92 -48.56 60.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.274 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 16.4 mt-10 -64.35 -35.48 81.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.473 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.1 -31.33 72.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.463 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -69.01 -42.01 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.027 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -56.05 -41.27 74.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.438 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.3 t -65.33 -49.02 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.646 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 84.7 mmm -65.52 -39.02 91.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.9 m -57.2 -37.61 72.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.446 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -59.65 -40.74 88.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 112' ' ' LEU . 10.9 mp -72.81 -8.2 54.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.4 -2.68 83.37 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -69.68 123.63 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -102.62 106.79 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.538 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.7 mt -118.28 157.12 27.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.485 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.0 p -86.34 167.69 14.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.629 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.18 -36.69 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.34 -39.89 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.55 -44.45 96.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.88 -47.02 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.478 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -58.53 -47.69 83.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.55 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.87 -38.2 85.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.0 tpt -61.7 -40.35 94.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' ASP . 4.7 mm -64.02 -44.41 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.702 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -59.13 -41.48 88.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.92 -40.02 79.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.07 -26.2 48.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.58 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 60.6 t0 -63.23 112.56 2.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.647 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.432 HD12 ' HG2' ' A' ' 140' ' ' GLU . 42.2 mt -69.89 -44.05 79.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -89.99 8.24 33.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.674 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.98 38.59 2.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.58 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.1 p-10 -89.71 0.61 56.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 110.622 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 83.2 -0.77 89.55 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -139.6 159.48 42.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 0.0 110.516 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.1 t -108.54 129.97 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.369 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -94.17 174.01 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.551 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -60.72 -49.59 76.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 139' ' ' GLU . 56.4 mp0 -61.78 -36.73 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.432 ' HG2' HD12 ' A' ' 130' ' ' ILE . 27.1 mt-10 -66.47 -44.63 82.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.675 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.1 -47.71 83.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.9 -46.73 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.107 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.577 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 91.0 mm-40 -66.54 -44.25 82.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.599 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.8 ttm -59.42 -38.33 80.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.46 -42.46 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.653 ' O ' HG22 ' A' ' 146' ' ' THR . 49.3 m -88.79 0.59 56.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.57 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 143' ' ' GLN . . . -63.41 142.49 58.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.512 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.844 0.354 . . . . 0.0 110.766 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.89 -40.31 94.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -63.18 -39.94 96.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.669 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.413 HG23 ' SD ' ' A' ' 145' ' ' MET . 96.7 mt -64.43 -44.08 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.16 -45.02 96.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.632 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.24 -41.05 90.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.74 -39.2 70.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.341 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.97 -45.57 82.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -62.39 -45.26 93.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.582 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.21 -42.4 90.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.359 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.76 -24.39 61.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' OD1' ' OD1' ' A' ' 97' ' ' ASN . 47.6 t0 -92.12 60.8 3.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.241 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -59.58 -37.1 77.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -80.32 -2.79 46.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.631 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 56.72 21.48 36.33 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.432 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 52.1 p-10 -70.54 -17.25 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.48 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.426 ' H ' ' CG ' ' A' ' 93' ' ' ASP . . . 78.32 22.44 67.78 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 84.9 m-85 -143.41 147.18 34.21 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.579 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.441 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 19.2 mm -102.68 114.71 42.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.969 0.414 . . . . 0.0 110.569 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.0 m -96.61 174.47 6.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.435 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.63 -47.88 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.55 -48.89 68.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.323 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -70.98 -35.95 72.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.359 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.683 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.1 tt -63.43 -33.64 76.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.126 0.489 . . . . 0.0 110.409 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.2 mtp-105 -70.42 -33.01 70.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.602 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.641 ' CE1' HD21 ' A' ' 111' ' ' ASN . 2.9 t-80 -55.37 -41.52 72.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.119 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.35 -45.26 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.728 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.7 mmm -64.94 -43.48 92.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.615 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.5 m -61.63 -41.1 97.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.189 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.641 HD21 ' CE1' ' A' ' 107' ' ' HIS . 89.4 m-20 -60.29 -37.91 82.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.44 -12.38 61.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.948 0.404 . . . . 0.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.94 -3.74 62.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -82.54 130.53 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.417 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -122.55 115.61 22.47 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.602 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.7 mt -111.71 156.1 22.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.5 p -76.53 169.99 17.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.457 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.29 -41.64 99.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.78 -37.02 81.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.86 -41.23 97.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 56.5 t -62.1 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.473 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -58.67 -49.11 78.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.32 -38.59 78.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.3 ttp -61.4 -47.4 85.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.55 -45.02 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.761 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -60.93 -44.38 97.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.43 -35.08 70.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.759 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.85 -30.34 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.591 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 27.9 t70 -72.31 112.4 8.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.379 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.54 -43.23 83.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 20.5 p-10 -80.91 2.6 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.746 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.561 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 42.05 31.25 0.83 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.591 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.6 p-10 -83.94 -0.89 53.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.371 . . . . 0.0 110.465 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.72 -7.94 31.04 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 100' ' ' ILE . 46.4 tp60 -133.31 146.92 51.79 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.022 0.439 . . . . 0.0 110.422 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.4 t -97.75 124.6 50.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -91.19 164.35 13.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.39 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -59.11 -49.8 76.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.33 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -59.57 -37.39 78.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.408 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -75.02 -37.02 61.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.588 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 61.4 t80 -60.48 -50.63 72.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.6 t -58.29 -46.3 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.171 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -65.31 -44.31 88.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.57 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.6 ttm -54.22 -31.97 54.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.298 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 28.4 mtt -92.73 -32.31 14.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.96 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.671 HG22 ' O ' ' A' ' 146' ' ' THR . 91.3 m . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.68 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.71 0.291 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.43 -41.21 93.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.35 -35.4 80.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 94.9 mt -63.04 -44.96 99.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.343 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -62.88 -46.61 87.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.529 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -67.62 -42.23 82.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.76 68.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.082 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -58.75 -46.37 87.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.454 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -60.44 -44.64 95.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.708 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.27 -42.93 95.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.301 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.9 -26.38 62.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.34 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -88.95 67.4 8.16 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -57.48 -36.68 71.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 97' ' ' ASN . 13.8 m-20 -79.74 -3.39 47.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.233 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.59 20.95 0.69 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 95' ' ' ASP . 37.8 p-10 -77.46 -11.38 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.617 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.21 19.77 56.49 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.516 ' CE1' ' ND2' ' A' ' 137' ' ' ASN . 81.6 m-85 -142.32 146.55 35.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.337 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.1 mt -109.72 112.55 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.256 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 p -88.45 178.54 6.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.564 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.62 -44.36 89.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.92 77.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.358 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -68.51 -39.6 81.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.417 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.519 HD22 HD11 ' A' ' 125' ' ' ILE . 49.2 tp -62.62 -28.6 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -68.79 -40.6 79.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.81 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.46 ' O ' ' OG1' ' A' ' 110' ' ' THR . 6.5 m-70 -55.75 -41.81 74.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.976 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.0 t -66.1 -44.49 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.379 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.46 ' SD ' HD13 ' A' ' 116' ' ' LEU . 50.4 ttp -63.81 -42.74 97.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 20.5 p -56.37 -33.99 66.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.277 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 63.1 t-20 -65.2 -35.94 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.309 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.73 -32.31 70.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.49 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.54 25.22 12.34 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -106.12 137.5 43.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.83 0.348 . . . . 0.0 110.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.613 ' C ' HD12 ' A' ' 116' ' ' LEU . 98.9 mttt -108.67 107.8 18.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.776 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.613 HD12 ' C ' ' A' ' 115' ' ' LYS . 11.2 mp -113.7 151.05 32.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.015 0.436 . . . . 0.0 110.496 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.0 p -76.64 164.91 25.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -62.77 -39.58 94.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.96 -40.57 91.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.573 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -60.63 -44.05 96.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.754 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.9 -44.71 99.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.89 -43.98 91.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.72 -36.72 84.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.654 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 40.0 mtt -62.2 -40.79 97.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.681 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.519 HD11 HD22 ' A' ' 105' ' ' LEU . 38.6 mm -66.46 -43.37 91.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.813 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -63.46 -48.26 78.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.48 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.22 -37.57 72.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.992 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.7 -31.3 66.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.845 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 28.5 t0 -70.94 120.02 15.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.442 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.13 -45.43 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.475 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 3.1 p30 -91.26 11.81 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 43.38 47.72 6.94 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.506 ' H ' ' CG ' ' A' ' 129' ' ' ASP . 89.4 m-20 -85.91 -5.89 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.341 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.06 -7.45 75.04 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -140.63 155.29 46.58 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.066 0.46 . . . . 0.0 110.308 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.7 t -92.85 124.38 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.463 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 15.2 t-20 -97.57 171.25 8.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.482 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.421 ' N ' ' CG ' ' A' ' 137' ' ' ASN . 89.8 t80 -59.75 -48.84 80.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.37 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.47 -40.74 87.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.171 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.55 -38.19 74.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.28 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.6 -51.06 70.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.426 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.71 -45.2 86.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -64.91 -44.75 88.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.438 179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.3 ttm -57.35 -32.54 66.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.14 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.8 mmt -90.53 -34.08 15.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.936 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.962 0.411 . . . . 0.0 110.5 -179.931 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.535 0.207 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 9.8 pt-20 -61.59 -43.16 99.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 93.6 mt-10 -62.75 -42.71 99.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.625 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.69 -46.69 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.436 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -61.23 -43.89 98.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.357 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -66.84 -41.3 87.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.489 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.88 80.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.27 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -59.48 -45.32 92.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.62 -47.36 85.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.62 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.8 -43.05 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.089 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.58 -21.14 61.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.45 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.557 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 19.9 t0 -102.69 67.36 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.22 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.24 -34.7 74.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 26.1 p-10 -76.66 -1.16 26.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.565 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.46 21.21 66.47 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.591 ' C ' ' H ' ' A' ' 99' ' ' TYR . 4.0 t-20 -81.96 116.36 21.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.211 0.529 . . . . 0.0 110.022 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -52.06 -1.48 0.05 OUTLIER Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.591 ' H ' ' C ' ' A' ' 97' ' ' ASN . 88.3 m-85 -128.66 150.12 50.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.864 0.364 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.9 mm -107.95 127.32 64.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.4 m -101.92 179.25 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.443 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.83 86.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.33 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.126 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.21 -35.46 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.852 0.358 . . . . 0.0 110.169 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.47 -36.17 79.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.205 0.526 . . . . 0.0 110.241 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -69.86 -33.04 71.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.515 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -56.05 -40.94 74.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.311 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.06 -43.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.46 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.6 mmt -62.46 -39.71 94.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.8 m -61.14 -39.01 88.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.341 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.16 -24.14 64.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.446 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 mt -71.61 -19.52 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.456 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.11 -6.88 60.06 Favored Glycine 0 N--CA 1.462 0.387 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -120.75 113.62 20.46 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 110.463 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.74 138.5 38.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.443 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.7 mt -111.53 161.89 15.7 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.338 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 p -79.34 167.02 21.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.362 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.02 -41.14 99.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.725 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -64.98 -37.47 87.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.506 ' O ' ' SD ' ' A' ' 124' ' ' MET . 66.1 mm-40 -64.0 -40.7 96.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.711 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.03 -44.95 97.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.508 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -59.93 -46.87 87.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.651 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.26 -44.7 88.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.734 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.566 ' SD ' ' N ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -60.86 -44.21 97.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.637 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -64.0 -44.53 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.372 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -61.13 -40.34 93.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.753 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.03 -34.48 77.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.738 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.78 -19.49 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.65 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 61.2 t0 -76.84 101.26 5.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.9 mm -66.91 -43.36 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.686 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 13.3 p-10 -88.18 8.56 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.741 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 40.96 37.4 1.38 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 42.5 p-10 -81.28 -2.84 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.596 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 78.23 -2.18 67.12 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.439 ' NE2' ' CD2' ' A' ' 99' ' ' TYR . 40.7 tt0 -133.62 149.49 51.59 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.9 t -93.7 125.96 46.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -97.91 162.16 13.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.532 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -61.18 -49.37 77.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -57.89 -38.32 75.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.37 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.13 -40.65 74.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.38 -48.8 80.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.418 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 146' ' ' THR . 74.7 t -58.16 -46.9 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 57.3 tt0 -54.91 -47.21 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.334 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 89.1 mmm -60.81 -30.23 69.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.294 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 97.3 mmm -89.16 -27.82 20.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.969 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 142' ' ' VAL . 4.5 p . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.748 -179.699 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.836 0.35 . . . . 0.0 110.543 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.3 -39.44 93.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.709 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.02 -42.62 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.586 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.82 -41.56 92.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -58.34 -42.95 87.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.39 -42.87 88.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.41 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -55.06 -39.02 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.266 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -66.98 -41.03 87.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.783 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.44 -46.65 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.444 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.42 ' H ' ' HG2' ' A' ' 92' ' ' GLU . 15.4 pt-20 -72.59 -20.88 61.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.543 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 35.0 t0 -88.14 69.27 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.437 179.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.67 -41.84 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.462 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 34.8 p30 -79.08 -1.98 38.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.567 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.96 20.44 4.37 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 45.9 p-10 -69.52 -20.63 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.544 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.8 17.63 59.49 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.474 ' C ' HD12 ' A' ' 100' ' ' ILE . 94.3 m-85 -140.34 143.84 35.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.6 mp -101.77 117.79 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.443 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 p -98.34 179.47 4.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.594 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.34 -47.36 78.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.593 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.29 63.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.215 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 33.9 mt-10 -71.24 -35.69 71.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.323 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.92 -33.7 75.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.363 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -69.01 -36.53 77.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -55.3 -41.87 72.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.07 -45.58 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.553 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.47 -40.25 96.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.482 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.3 p -65.16 -33.26 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.508 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.6 -40.3 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.546 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 112' ' ' LEU . 9.6 mp -80.5 -7.04 59.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.9 -3.81 86.65 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.15 123.98 23.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.396 . . . . 0.0 110.492 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -104.16 104.84 14.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.583 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.8 mt -116.63 157.06 25.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.338 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.8 p -80.77 165.12 22.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.528 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.44 -38.74 92.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.59 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.18 -40.42 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.11 -40.57 98.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.88 -44.84 99.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.07 -43.67 98.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -62.54 -40.33 96.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.2 mmm -62.34 -42.17 99.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -63.41 -44.43 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.482 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.29 -40.3 89.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.38 -32.82 72.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.95 -25.06 24.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.674 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 52.2 t0 -67.82 107.76 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.636 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.97 -44.1 85.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.737 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.46 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 13.0 p30 -92.48 8.39 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.739 -178.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.41 42.62 4.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.512 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 38.2 p30 -84.11 -3.82 58.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.879 0.371 . . . . 0.0 110.568 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.425 ' O ' ' NE2' ' A' ' 135' ' ' GLN . . . 82.06 -2.18 84.75 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.468 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 98.4 mm-40 -134.94 152.12 51.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 110.553 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 74.6 t -100.46 124.39 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.518 ' ND2' ' OE1' ' A' ' 140' ' ' GLU . 6.2 p30 -97.87 179.1 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -60.13 -47.33 86.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.64 -39.15 90.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.518 ' OE1' ' ND2' ' A' ' 137' ' ' ASN . 71.7 mt-10 -72.39 -28.65 63.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.543 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -73.71 -52.28 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.2 t -57.05 -49.48 79.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.377 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -66.43 -40.09 89.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.914 0.388 . . . . 0.0 110.653 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.467 ' SD ' ' C ' ' A' ' 144' ' ' MET . 11.7 tmm? -63.46 -39.62 94.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.572 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.3 ttp -67.92 -31.31 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 146' ' ' THR . 20.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 56.7 mp0 . . . . . 0 CA--C 1.522 -0.098 0 CA-C-O 120.676 0.274 . . . . 0.0 110.576 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -59.56 -43.4 93.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.91 -33.09 72.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.648 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.5 -44.95 96.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 -62.25 -43.65 98.36 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.434 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -67.03 -42.14 85.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.333 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.64 79.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.323 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.48 -46.74 86.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.33 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.7 -46.21 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.563 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.83 -42.17 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.343 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -71.16 -23.26 62.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.361 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.489 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 31.4 t0 -88.34 73.78 8.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.294 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -61.11 -41.36 96.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 29.0 p-10 -80.75 -1.57 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.524 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.88 20.69 6.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.3 p-10 -66.39 -25.95 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.515 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 89.74 19.94 45.9 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -143.96 147.49 34.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 110.557 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mm -103.28 117.03 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.39 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.7 p -98.31 178.96 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.447 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.67 84.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.513 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -52.39 -46.85 66.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.102 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -70.48 -35.43 73.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.984 0.421 . . . . 0.0 110.447 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.714 HD22 HD11 ' A' ' 125' ' ' ILE . 4.3 tp -62.64 -32.77 73.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -71.02 -38.31 72.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.425 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.471 ' O ' ' OG1' ' A' ' 110' ' ' THR . 27.9 m170 -56.38 -41.55 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.239 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.36 -45.24 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.409 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.0 mmt -64.82 -39.92 94.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.499 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 21.7 p -59.9 -32.23 70.55 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.436 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 54.0 t-20 -64.02 -39.93 95.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.259 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 112' ' ' LEU . 11.3 mp -75.99 -9.68 58.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.4 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.14 1.11 76.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -79.73 128.81 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.673 0.273 . . . . 0.0 110.29 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -117.01 111.85 20.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.439 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 87.2 mt -116.19 159.87 21.2 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.571 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 118' ' ' ASP . 7.9 m -77.87 165.8 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.472 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 117' ' ' THR . 75.3 m-20 -64.34 -40.19 95.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.39 -38.75 88.24 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.604 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -62.98 -39.79 95.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.35 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 80.2 t -64.88 -44.24 96.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.432 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.06 -44.4 94.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.465 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.24 -37.57 85.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.646 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.3 ttt -61.68 -43.17 99.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.714 HD11 HD22 ' A' ' 105' ' ' LEU . 29.6 mm -63.31 -44.34 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -60.51 -43.0 97.54 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.281 0.363 . . . . 0.0 110.806 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.78 -34.86 76.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.637 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.33 -27.03 32.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.696 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 51.8 t0 -64.4 109.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 110.386 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.2 mt -69.61 -44.06 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.979 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.48 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 24.2 p30 -92.6 8.02 40.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.691 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.14 41.59 6.35 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 41.1 p-10 -89.57 -2.03 58.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.702 0.287 . . . . 0.0 110.332 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.479 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 78.33 -6.09 52.77 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.444 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 58.7 tp60 -135.66 150.81 49.72 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.985 0.421 . . . . 0.0 110.172 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 63.0 t -97.47 124.58 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.284 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 140' ' ' GLU . 2.3 p30 -93.92 169.71 10.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.559 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -61.23 -49.15 78.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.13 -37.65 77.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 22.4 tt0 -74.71 -36.2 62.71 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -62.6 -51.37 67.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.603 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.18 -46.17 92.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.133 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -65.57 -45.95 81.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.509 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.4 ttp -59.19 -32.16 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.349 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 mmt -92.76 -11.46 33.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.62 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 146' ' ' THR . 86.4 m . . . . . 0 N--CA 1.464 0.232 0 CA-C-O 120.953 0.406 . . . . 0.0 110.627 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.833 0.349 . . . . 0.0 110.625 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.16 -35.33 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -65.51 -32.52 74.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.26 -44.69 99.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.689 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -62.69 -46.76 86.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.867 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.33 -41.04 81.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.458 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.92 75.65 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.943 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.536 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 72.6 t80 -57.66 -44.9 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.32 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -62.69 -45.4 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.68 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.46 -41.0 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.9 -23.2 63.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.536 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 36.3 m-20 -89.48 69.95 7.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.43 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -60.08 -41.4 92.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.571 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.502 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 33.5 p-10 -80.35 -1.72 42.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.44 21.01 25.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.502 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 50.6 p-10 -71.76 -15.07 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.98 23.23 62.01 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -143.75 146.81 33.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.096 0.474 . . . . 0.0 110.449 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 mm -102.7 114.23 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.187 0.517 . . . . 0.0 110.632 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 13.1 t -99.74 178.85 4.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.364 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.468 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -56.24 -47.82 77.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.321 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.509 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -53.58 -47.23 70.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.542 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.29 -38.02 71.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.829 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.78 -31.82 73.22 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.454 ' HE ' HG21 ' A' ' 121' ' ' VAL . 99.6 mtt180 -70.42 -39.7 74.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.023 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 19.7 m170 -56.49 -41.12 76.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.429 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.9 -47.71 91.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.6 mtp -67.53 -35.43 79.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 m -60.25 -38.98 85.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.004 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -57.54 -35.29 70.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.115 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 112' ' ' LEU . 10.9 mp -73.31 -7.33 51.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.393 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.08 75.3 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -90.33 137.23 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.397 . . . . 0.0 110.216 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -119.04 112.53 19.68 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.383 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -116.8 158.75 23.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.1 p -78.56 165.98 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.523 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.99 -41.48 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.709 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.44 -37.71 87.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.739 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -63.84 -41.33 97.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.454 HG21 ' HE ' ' A' ' 106' ' ' ARG . 75.2 t -63.28 -45.48 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.308 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.06 -47.57 84.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.743 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' A' ' 127' ' ' GLU . 81.0 mm-40 -64.24 -37.14 86.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.27 -41.76 97.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.671 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -63.9 -43.73 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.411 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -60.98 -47.0 88.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.049 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.568 ' N ' ' OE1' ' A' ' 127' ' ' GLU . 0.3 OUTLIER -65.58 -40.66 92.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.982 179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.18 -28.69 48.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 40.4 t0 -75.14 106.77 6.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.484 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.3 mt -73.19 -33.06 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.586 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -80.61 -1.45 42.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.43 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.94 28.16 1.68 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.491 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 27.2 p30 -87.27 -4.93 59.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.584 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.95 -3.78 84.69 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.451 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 89.0 mt-30 -138.98 153.61 48.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.17 0.509 . . . . 0.0 110.443 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.2 t -101.06 126.32 54.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.016 0.436 . . . . 0.0 110.455 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -90.89 165.59 13.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.684 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.18 -50.33 74.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.227 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -61.16 -38.91 88.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.373 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.58 -37.36 68.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.614 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -60.42 -50.64 72.8 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.4 -48.34 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.346 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -67.38 -43.93 80.17 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 110.741 179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.6 tmm? -58.34 -37.12 74.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.418 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 86.3 mmm -74.27 -34.91 63.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.126 0.489 . . . . 0.0 110.448 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.3 p . . . . . 0 C--N 1.332 -0.154 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.455 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' A' ' 85' ' ' ILE . 81.9 tt0 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.803 0.335 . . . . 0.0 110.541 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.74 -36.52 76.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -65.85 -34.76 78.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.591 HD13 ' SD ' ' A' ' 145' ' ' MET . 71.1 mt -61.56 -48.07 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.676 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -61.97 -44.97 95.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.46 -40.55 85.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.491 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.29 85.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.356 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -61.72 -46.88 87.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.547 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.57 -48.07 83.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.48 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.13 -42.31 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.19 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -71.54 -22.16 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.335 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.47 ' OD1' ' OD1' ' A' ' 95' ' ' ASP . 37.0 t0 -87.87 69.53 9.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.942 0.401 . . . . 0.0 110.168 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -61.24 -41.37 96.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.47 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 40.0 p30 -79.39 -1.56 37.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 -179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 49.0 19.99 1.72 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.6 p-10 -70.1 -20.3 63.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.652 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 87.4 12.33 67.53 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -137.27 145.26 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.368 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.4 mm -104.04 121.78 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.619 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 12.1 t -105.22 179.34 4.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.338 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -54.13 -48.7 70.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.383 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.32 -46.6 69.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.143 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.38 -36.09 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.066 0.46 . . . . 0.0 110.366 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.25 -32.87 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.435 0.636 . . . . 0.0 110.655 -179.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -68.46 -38.93 81.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.666 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -55.88 -42.91 76.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.35 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.27 -47.03 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.624 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.584 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.09 -38.35 90.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.367 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.7 m -60.77 -42.58 97.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.32 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 57.4 t-20 -59.91 -35.82 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.311 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.37 -4.17 37.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.53 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.28 6.77 85.86 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -93.21 140.43 29.54 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -120.75 115.54 23.5 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.297 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.5 mt -117.9 161.05 20.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.393 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 121' ' ' VAL . 17.7 p -80.67 164.85 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.562 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 32.7 p-10 -63.59 -40.56 97.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.455 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 80.6 mm-40 -66.89 -43.16 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.84 -43.16 99.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.668 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 117' ' ' THR . 53.3 t -61.84 -47.16 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.376 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -61.8 -43.84 98.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.499 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.433 ' O ' ' OE2' ' A' ' 123' ' ' GLU . 1.9 tm-20 -67.89 -36.76 80.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.678 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -40.18 91.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.777 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -62.45 -42.56 96.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.391 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -57.95 -43.15 86.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.44 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.56 -43.96 88.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.23 -25.95 55.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.667 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 52.1 t0 -70.37 97.72 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.49 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.97 -41.87 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.416 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 16.5 m-20 -78.0 -0.41 27.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.313 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.46 27.67 1.31 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.536 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 34.2 p-10 -83.95 1.91 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.75 0.31 . . . . 0.0 110.431 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.471 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 75.4 -5.48 35.75 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 99.4 mm-40 -135.69 152.76 51.5 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.2 0.524 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.7 125.46 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -95.01 160.11 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.24 -49.04 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.424 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -61.9 -38.49 88.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.48 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.416 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 12.0 tt0 -71.23 -39.49 71.67 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 120.655 0.264 . . . . 0.0 110.567 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -61.27 -47.25 86.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.41 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.07 -47.21 90.78 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.272 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.13 -46.47 77.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.0 0.429 . . . . 0.0 110.572 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' A' ' 144' ' ' MET . 12.0 tmm? -57.54 -29.06 64.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.591 ' SD ' HD13 ' A' ' 85' ' ' ILE . 1.6 ptt? -61.82 -28.01 69.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.995 -177.681 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.437 ' OE1' ' N ' ' A' ' 82' ' ' GLU . 55.3 mp0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.527 0.203 . . . . 0.0 110.694 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.5 -38.43 89.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -65.17 -39.55 93.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.33 -47.12 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.621 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.08 -46.42 87.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.41 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.34 -42.56 79.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.533 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.11 74.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.419 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 61.2 t80 -58.38 -46.12 86.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.606 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -66.28 -47.8 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.676 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.22 -42.97 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.146 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -71.57 -20.08 62.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.45 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.522 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 22.9 m-20 -94.93 75.07 3.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.266 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -59.67 -38.0 80.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.659 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 22.0 p-10 -80.64 0.14 35.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.72 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.31 33.82 82.21 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.717 HD22 ' N ' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -92.15 120.44 32.75 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.556 -0.379 . . . . 0.0 110.651 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.82 -0.95 0.03 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.627 ' H ' ' C ' ' A' ' 97' ' ' ASN . 81.9 m-85 -127.9 149.77 50.16 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.424 0.631 . . . . 0.0 110.2 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -111.5 131.31 63.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.398 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 17.0 t -90.47 177.15 6.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.531 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.437 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -66.27 -46.93 75.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.704 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.51 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.074 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -68.12 -35.95 78.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.411 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.488 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.8 tt -63.38 -31.44 72.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.614 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.441 ' HE ' HG21 ' A' ' 121' ' ' VAL . 41.4 ttm180 -71.21 -34.36 70.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.613 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.475 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 48.7 m170 -55.36 -40.6 71.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.085 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.92 -45.67 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.503 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -63.01 -42.24 99.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.475 -179.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 m -62.62 -40.98 98.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.266 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 107' ' ' HIS . 76.1 m-20 -61.52 -37.46 83.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.69 -15.88 62.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.602 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.16 -14.95 39.98 Favored Glycine 0 N--CA 1.463 0.495 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 40.6 mp0 -84.1 132.37 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.393 . . . . 0.0 110.481 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.532 ' C ' HD12 ' A' ' 116' ' ' LEU . 88.5 tttt -115.05 113.58 24.24 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.047 0.451 . . . . 0.0 110.321 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.1 mp -105.24 142.67 34.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.5 p -75.92 171.18 14.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.438 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.17 -41.1 92.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.751 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -68.67 -40.28 80.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.752 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.93 -43.29 99.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.441 HG21 ' HE ' ' A' ' 106' ' ' ARG . 63.4 t -61.91 -46.07 97.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -61.36 -44.74 96.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.513 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.53 -38.89 81.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.67 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 124' ' ' MET . 1.6 tmt? -61.89 -47.81 83.32 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.3 mt -62.31 -45.01 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -60.54 -40.17 90.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.692 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -70.32 -33.82 71.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.013 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.46 -26.18 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 66.0 t0 -70.05 107.47 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.416 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.8 -44.62 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.455 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 15.9 p30 -89.7 6.02 43.28 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.04 38.53 2.6 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.548 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 47.9 p-10 -80.41 -4.51 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.478 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.61 -2.49 85.6 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.44 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 84.4 mt-30 -139.01 155.51 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 110.517 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.1 t -93.66 125.31 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.068 0.461 . . . . 0.0 110.368 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -97.67 166.09 11.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.507 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -59.87 -51.22 70.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.488 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -58.24 -39.0 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.496 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -74.86 -34.15 62.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -61.94 -51.26 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.056 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.09 -45.31 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.943 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -64.5 -46.89 81.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.806 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 66.9 ttp -63.07 -33.83 76.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.581 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.8 mmm -75.92 -38.21 57.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.626 -179.19 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 . . . . . 0 N--CA 1.46 0.04 0 CA-C-O 120.507 0.194 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.03 -36.82 80.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.743 0.306 . . . . 0.0 110.619 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.414 ' O ' ' CB ' ' A' ' 88' ' ' ALA . 75.3 tt0 -64.52 -33.18 75.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.61 -48.39 88.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.613 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -65.95 -46.55 77.76 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.633 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.47 -47.55 69.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.707 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -56.3 -40.99 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.021 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CD1' HD11 ' A' ' 100' ' ' ILE . 71.6 t80 -58.67 -47.13 85.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.35 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -64.42 -48.38 75.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.77 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -61.81 -36.46 73.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.244 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -70.92 -23.68 62.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.27 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.484 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 15.0 m-20 -97.64 79.47 2.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.819 0.342 . . . . 0.0 110.557 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -58.01 -36.74 73.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.505 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.475 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 26.2 p-10 -77.85 3.21 14.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.307 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.8 43.47 80.75 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.828 ' H ' HD22 ' A' ' 97' ' ' ASN . 0.0 OUTLIER -108.29 128.94 55.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.357 0.598 . . . . 0.0 110.29 -179.545 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.36 20.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.68 ' H ' ' C ' ' A' ' 97' ' ' ASN . 86.0 m-85 -142.72 144.44 32.68 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.062 0.458 . . . . 0.0 110.231 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 89' ' ' PHE . 93.1 mt -111.5 130.5 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.457 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -101.27 176.66 5.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.488 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.7 98.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.61 66.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.954 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -68.61 -35.64 77.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.938 0.399 . . . . 0.0 110.255 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp -60.16 -30.35 69.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -68.87 -37.13 78.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.852 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -56.36 -43.0 78.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.153 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.08 -46.76 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.376 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -65.21 -38.23 89.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.333 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -58.13 -39.95 80.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.217 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -57.33 -38.38 73.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.197 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 112' ' ' LEU . 4.1 mm? -74.67 -6.08 46.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.708 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.5 0.24 89.76 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -77.49 131.85 38.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.667 0.27 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -112.15 109.78 19.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.497 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.1 mt -112.17 149.88 31.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.206 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.8 p -76.47 169.94 17.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.435 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -63.06 -40.33 97.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.25 -36.52 84.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.593 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.25 -40.85 94.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.692 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.81 -44.05 93.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.401 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.14 -44.22 92.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.33 -41.64 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.549 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.4 mmm -61.79 -44.97 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.627 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 129' ' ' ASP . 3.6 mm -63.03 -51.9 65.93 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -58.53 -44.18 89.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.747 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.33 -34.8 79.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.4 -27.05 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 46.8 t0 -63.23 110.23 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.03 0.443 . . . . 0.0 110.458 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.03 -43.79 81.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.013 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.421 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 44.3 p30 -98.55 13.28 32.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -178.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.12 36.86 2.92 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.534 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 24.6 p-10 -79.1 -5.86 55.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.809 0.338 . . . . 0.0 110.711 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.65 -3.64 81.55 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.425 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 16.5 pt20 -151.36 169.17 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.44 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.6 t -102.25 122.38 54.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.473 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -91.5 164.02 13.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.417 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.85 -48.27 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.468 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.26 -41.33 84.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -75.13 -30.59 60.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.443 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.9 -49.23 78.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.223 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 66.4 t -57.99 -45.68 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.0 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 82.1 mt-30 -63.48 -47.81 80.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.479 179.512 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.6 ttp -60.51 -31.43 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 96.6 mmm -87.41 -30.76 20.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.005 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.547 -179.698 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.572 0.225 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -68.96 -39.57 79.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.07 -37.69 88.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.674 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.669 HD13 ' HG2' ' A' ' 145' ' ' MET . 81.2 mt -61.63 -44.55 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.485 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -60.36 -45.62 92.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.359 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.37 -37.9 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.557 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.9 81.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.512 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -56.53 -45.73 80.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.318 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -65.01 -45.34 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.505 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.8 t -61.35 -40.68 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.502 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.436 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 73.2 mm-40 -70.11 -25.46 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.544 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 51.7 t0 -89.28 66.17 7.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.571 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.53 -41.06 96.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.788 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.415 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 36.4 p30 -78.75 -3.41 44.19 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.69 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.1 21.3 45.75 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.749 HD22 ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -67.32 -18.1 65.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.749 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 85.59 2.6 86.95 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.633 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 85.7 m-85 -130.36 156.8 44.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.42 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.4 mm -107.13 119.31 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.685 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.9 p -98.36 -179.57 4.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.605 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.73 93.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.483 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . . . -53.78 -44.83 70.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 31.2 mt-10 -72.06 -36.18 69.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.84 -31.92 73.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.033 0.444 . . . . 0.0 110.795 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 103' ' ' ALA . 86.3 mtm180 -71.29 -35.95 71.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.276 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 24.7 m170 -55.53 -40.29 71.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.445 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.93 -45.34 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.8 mmt -63.59 -38.53 91.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 43.9 p -63.59 -32.53 74.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -64.19 -40.73 96.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 112' ' ' LEU . 10.9 mp -71.85 -28.22 63.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.499 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.17 -10.64 43.74 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -70.58 138.61 51.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.492 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -120.79 112.76 19.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.62 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.4 mt -114.06 157.26 22.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.416 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.1 p -77.01 168.12 20.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.96 -39.62 95.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.713 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -66.39 -36.21 82.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -64.72 -37.1 86.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.22 -45.53 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.17 -48.77 80.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.82 -41.77 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 82.6 mtp -62.41 -42.71 99.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.469 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.42 -44.75 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.805 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -63.29 -48.64 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.205 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -67.8 -33.84 75.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.827 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.78 -28.42 33.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.624 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 68.3 t0 -69.92 111.68 5.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.423 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 82.3 mt -68.3 -44.53 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.507 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 34.7 p30 -92.13 9.74 32.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 -178.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.29 37.01 1.51 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.604 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 51.5 p-10 -82.89 -1.48 52.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.785 0.326 . . . . 0.0 110.496 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.9 -9.77 10.73 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.472 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 23.4 mm100 -131.92 144.85 51.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.474 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 t -100.7 120.47 50.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.522 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.662 ' H ' ' ND2' ' A' ' 137' ' ' ASN . 0.2 OUTLIER -95.32 172.13 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.22 -42.61 99.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.675 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -63.57 -45.25 91.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.701 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -75.25 -35.99 61.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.614 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -61.2 -49.93 75.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.711 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.24 -47.81 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.391 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.63 -48.97 65.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.7 ttp -57.99 -30.51 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.282 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.669 ' HG2' HD13 ' A' ' 85' ' ' ILE . 2.9 tpt -66.57 -46.39 76.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.772 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.665 -179.112 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 82' ' ' GLU . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.173 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -66.7 -44.3 82.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -61.96 -38.93 90.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.671 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.98 -43.61 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.41 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.62 -44.79 95.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.313 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.61 -39.72 84.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.84 75.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.392 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.456 ' CD2' ' CE2' ' A' ' 138' ' ' TYR . 76.8 t80 -60.78 -47.6 85.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -64.42 -46.55 82.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.49 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.0 -42.21 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.215 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -71.48 -18.41 62.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.335 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -91.16 78.35 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.379 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -60.15 -38.95 84.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.521 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.442 ' C ' ' N ' ' A' ' 97' ' ' ASN . 11.5 m-20 -78.18 -2.77 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.193 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 44.53 19.96 0.18 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 95' ' ' ASP . 43.0 p30 -74.6 -15.13 60.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.493 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.76 16.2 58.6 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -138.32 143.43 39.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 110.425 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.6 mm -105.25 115.22 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.232 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -98.43 179.99 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -47.02 79.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.616 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.23 -45.9 68.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.202 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.87 -35.21 74.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.033 0.444 . . . . 0.0 110.053 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.66 -30.97 72.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.532 . . . . 0.0 110.546 -179.64 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.39 -38.22 90.28 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.387 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -55.41 -42.34 73.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.156 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.09 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.3 mtm -63.23 -41.05 99.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.2 p -62.66 -37.22 85.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 56.2 t-20 -64.53 -38.72 91.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.386 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.0 mt -71.61 -26.13 62.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.71 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.03 -9.73 70.19 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -73.86 141.96 46.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.691 0.282 . . . . 0.0 110.429 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -110.21 106.94 16.55 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.77 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.63 153.72 29.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.453 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.2 p -81.03 167.25 19.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.556 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.32 -38.07 88.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.604 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.01 -39.1 92.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.371 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.44 -39.17 93.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.84 -44.73 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.21 -44.23 92.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 0.0 110.421 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.419 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 81.9 tt0 -64.23 -38.64 91.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.486 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.2 ttm -61.42 -45.91 92.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.505 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.462 HD11 ' HG ' ' A' ' 105' ' ' LEU . 40.3 mm -63.7 -45.77 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.791 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 123' ' ' GLU . 88.8 mtm180 -59.0 -43.51 91.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.867 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -63.72 -35.35 80.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.746 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.28 -22.45 26.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.69 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 42.9 t0 -71.93 104.55 3.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.279 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.4 mm -68.08 -43.73 85.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.848 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 17.6 p-10 -92.63 9.62 33.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.73 41.05 4.2 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 35.4 p-10 -84.46 -1.4 55.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.728 0.299 . . . . 0.0 110.55 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 80.67 -5.2 65.68 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 87.9 mt-30 -138.97 155.13 48.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.378 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.9 t -92.7 129.1 43.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -97.33 158.49 15.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.395 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CE2' ' CD2' ' A' ' 89' ' ' PHE . 1.4 t80 -57.12 -53.04 62.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.522 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 54.6 mp0 -58.03 -36.46 72.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.197 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -73.61 -36.52 65.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.97 -50.02 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.524 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.42 -45.73 89.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.142 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -65.14 -45.2 85.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.29 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.46 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.5 tmm? -58.31 -32.26 68.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.272 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.4 mmm -88.25 -30.86 19.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.684 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.394 . . . . 0.0 110.56 -179.68 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 . . . . . 0 N--CA 1.457 -0.097 0 CA-C-O 120.805 0.336 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.24 -34.88 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.546 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.88 -34.13 77.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.522 HG23 ' SD ' ' A' ' 145' ' ' MET . 95.3 mt -62.28 -42.87 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -56.93 -44.19 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.437 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.39 -36.38 81.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.542 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.17 86.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -60.87 -44.69 96.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.496 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -58.73 -45.58 89.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.63 -41.25 90.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.296 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -72.14 -28.15 63.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.449 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -86.23 75.93 9.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.5 -41.42 94.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.481 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 97' ' ' ASN . 12.2 m-20 -78.79 -1.84 36.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.3 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.81 19.84 0.07 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 95' ' ' ASP . 30.5 p-10 -75.09 -9.85 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.499 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.87 11.8 64.92 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.26 142.76 47.44 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.987 0.423 . . . . 0.0 110.609 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -104.99 116.31 48.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 121.056 0.455 . . . . 0.0 110.15 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -93.66 179.85 5.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.687 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.24 95.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.439 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.14 -48.37 70.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.223 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.07 -35.89 78.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.278 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.39 -29.49 69.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.043 0.449 . . . . 0.0 110.605 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -69.67 -42.36 74.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.902 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.411 ' O ' ' OG1' ' A' ' 110' ' ' THR . 70.4 m-70 -56.0 -41.87 75.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.58 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.591 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 62.1 mtt -63.93 -40.57 96.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 25.8 p -62.09 -40.73 96.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.478 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -63.19 -39.11 93.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.07 -9.32 58.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.506 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 93.45 -16.35 60.86 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -69.92 125.29 26.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.488 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -121.71 112.97 19.06 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.0 mt -114.18 162.97 15.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.458 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 118' ' ' ASP . 7.0 m -76.41 164.06 26.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.372 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.465 ' N ' HG22 ' A' ' 117' ' ' THR . 53.7 t0 -62.07 -39.79 93.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.788 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.87 -36.51 80.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.11 -42.45 93.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.689 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.63 -45.84 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.99 -43.98 91.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.513 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -67.79 -38.42 83.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mmm -62.29 -42.58 99.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.719 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.8 mt -62.86 -45.38 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -62.19 -43.6 98.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.729 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.31 -40.47 81.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.67 -27.07 45.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.795 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 39.9 t0 -70.47 106.12 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.574 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.06 -41.83 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.803 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 17.1 m-20 -79.81 1.96 24.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.546 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.62 25.52 0.32 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.532 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 33.8 p-10 -82.32 -1.31 49.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.597 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.93 -2.37 83.86 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.439 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 94.2 mt-30 -140.86 158.66 43.63 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.018 0.437 . . . . 0.0 110.491 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.84 127.98 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 121.082 0.467 . . . . 0.0 110.375 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -93.16 170.27 9.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -60.43 -50.67 72.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.437 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.32 -39.0 91.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.623 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.412 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 5.6 tt0 -69.12 -38.48 78.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.65 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.8 -47.43 85.75 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.989 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 77.7 t -57.57 -47.31 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.39 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -66.75 -43.81 83.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 83.5 mtp -59.65 -36.84 77.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.522 ' SD ' HG23 ' A' ' 85' ' ' ILE . 2.6 ttt -77.09 -28.64 54.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 p . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.654 -179.767 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.711 0.291 . . . . 0.0 110.556 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.99 -38.16 90.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.692 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -64.45 -33.1 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.439 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.82 -44.46 99.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.441 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.94 -46.83 82.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.588 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.41 -43.12 82.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.62 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.92 80.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.306 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.16 -46.3 90.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -62.73 -45.75 91.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.57 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.34 -39.2 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.331 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.01 -25.06 62.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.224 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 28.6 t0 -85.24 85.6 7.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 0.0 110.56 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -60.83 -43.51 98.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.743 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ASN . 18.7 m-20 -79.57 -1.09 36.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.206 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.04 20.25 0.08 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 95' ' ' ASP . 39.0 p-10 -78.12 -4.03 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 0.0 110.508 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.512 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 83.89 15.49 70.05 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -139.98 146.46 39.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.61 0.243 . . . . 0.0 110.377 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.3 mm -109.47 121.48 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.269 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -99.48 179.73 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.401 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.45 -46.75 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.363 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.66 -49.04 66.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.097 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.7 -37.72 82.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.073 0.463 . . . . 0.0 110.253 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.59 -30.39 71.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.818 0.818 . . . . 0.0 110.357 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 110' ' ' THR . 61.7 ttp180 -73.39 -45.02 57.25 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.551 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -61.66 -45.07 95.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.239 0.542 . . . . 0.0 110.942 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 109' ' ' MET . 5.8 p -69.86 -43.21 79.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.554 ' SD ' HD12 ' A' ' 116' ' ' LEU . 20.6 ttm -69.83 -48.14 60.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.307 -178.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 106' ' ' ARG . 5.4 t -62.51 -32.05 72.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.566 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -62.89 -28.72 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.116 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mt -78.35 -3.69 44.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.688 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.97 52.44 2.77 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -141.66 126.75 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.42 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -109.69 106.08 15.59 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.26 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.554 HD12 ' SD ' ' A' ' 109' ' ' MET . 47.0 mt -118.22 159.12 23.87 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.287 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.433 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 7.3 p -82.12 168.26 17.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.3 p-10 -63.8 -38.98 93.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.506 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.5 mt-10 -67.07 -37.92 84.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.62 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -64.91 -43.7 91.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.69 -44.92 99.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.449 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -60.33 -45.72 92.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -66.75 -39.94 88.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.9 ttt -60.91 -46.81 89.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.68 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.07 -43.59 97.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.452 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -61.75 -44.66 96.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.449 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -71.25 -36.37 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.21 65.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.76 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 67.8 t0 -76.32 128.92 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.673 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.4 ' N ' ' OD1' ' A' ' 129' ' ' ASP . 35.6 mm -66.84 -44.69 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 17.6 p30 -90.0 13.27 15.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.82 43.23 4.11 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.422 ' OD2' ' CG ' ' A' ' 131' ' ' ASP . 94.4 m-20 -84.15 -3.6 58.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.699 0.285 . . . . 0.0 110.405 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.08 -4.9 52.76 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -135.15 148.9 49.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.809 0.338 . . . . 0.0 110.095 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.9 t -108.09 121.62 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.361 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 4.8 p-10 -96.97 -175.92 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.365 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -61.2 -46.62 89.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.23 -42.93 99.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 93.9 mt-10 -73.09 -38.19 66.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.49 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 79.6 t80 -61.18 -52.12 66.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.442 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.0 t -58.46 -47.1 89.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -66.16 -44.16 84.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.805 179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.2 tmm? -56.81 -34.93 68.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.426 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 32.7 mtt -92.53 -32.57 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.722 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 110.431 -179.707 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 N--CA 1.456 -0.174 0 CA-C-O 120.583 0.23 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' A' ' 87' ' ' GLU . 96.3 mt-10 -63.37 -41.82 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.763 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -62.51 -38.6 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.737 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.584 HG23 ' SD ' ' A' ' 145' ' ' MET . 95.1 mt -64.36 -44.87 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -58.51 -44.73 89.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.341 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.5 OUTLIER -67.7 -37.14 81.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 179.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.73 88.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.556 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.37 -45.03 84.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.47 -44.83 96.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.611 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.37 -40.64 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 96.6 mt-10 -70.48 -24.96 62.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.462 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.514 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.4 t0 -90.24 69.82 7.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.362 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 95' ' ' ASP . 59.6 pttt -62.27 -42.09 99.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 37.8 p-10 -79.79 -2.44 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.471 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.41 20.77 46.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.5 p-10 -68.74 -25.04 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 87.85 20.5 50.2 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.511 ' C ' HD12 ' A' ' 100' ' ' ILE . 58.8 m-85 -145.92 149.55 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.347 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.598 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.7 mp -101.9 115.81 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.23 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 15.3 t -96.52 179.99 4.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.716 179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -57.71 -48.36 79.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.515 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.437 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -54.93 -46.08 74.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.271 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 45.3 mt-10 -71.51 -38.62 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.04 -31.81 73.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -69.79 -38.86 76.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.609 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 17.5 m170 -56.16 -43.16 78.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.328 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.98 -47.81 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.578 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 52.3 mtt -65.89 -40.49 91.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 m -63.25 -42.14 99.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.41 -36.12 77.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.439 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.09 -11.68 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.673 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.79 -21.43 45.01 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.47 132.03 46.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.445 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.431 ' C ' HD12 ' A' ' 116' ' ' LEU . 34.8 pttt -113.52 110.83 20.91 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.093 0.473 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.8 mp -107.07 146.48 31.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 121' ' ' VAL . 20.0 p -75.04 166.13 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.392 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 38.7 p-10 -64.26 -38.79 92.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.517 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.3 mt-10 -68.36 -39.13 81.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.787 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.07 -38.84 92.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 117' ' ' THR . 67.4 t -62.91 -46.02 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.377 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -60.45 -45.02 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -68.49 -38.75 81.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.637 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 124' ' ' MET . 2.0 tmt? -61.35 -45.07 95.94 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -62.86 -44.47 99.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.509 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.95 -44.95 91.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.793 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.58 -32.58 68.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.445 ' O ' ' CE ' ' A' ' 144' ' ' MET . . . -84.54 -29.54 25.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.537 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 37.3 t0 -72.54 106.93 4.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.618 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.0 mt -69.21 -40.3 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.561 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.53 -2.67 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.245 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.4 30.11 1.94 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.537 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 30.0 p-10 -86.49 -3.34 59.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.527 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.42 -3.38 85.04 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -140.11 156.12 46.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.07 0.462 . . . . 0.0 110.302 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.1 t -99.04 130.49 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.437 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 22.7 t-20 -96.53 165.21 12.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.435 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.445 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 83.7 t80 -59.39 -50.73 72.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.249 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.02 -38.41 86.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -70.34 -40.78 73.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 120.738 0.304 . . . . 0.0 110.5 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.35 -49.09 78.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.36 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.21 -47.76 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.178 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 65.8 tt0 -65.6 -45.2 84.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.492 179.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.445 ' CE ' ' O ' ' A' ' 128' ' ' ALA . 39.8 ttm -61.84 -33.87 74.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.394 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.584 ' SD ' HG23 ' A' ' 85' ' ' ILE . 3.1 ttt -78.09 -35.41 49.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 p . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.524 ' CD ' ' N ' ' A' ' 82' ' ' GLU . 2.7 pm0 . . . . . 0 CA--C 1.525 -0.016 0 CA-C-O 120.822 0.344 . . . . 0.0 110.624 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.02 -39.0 93.11 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -66.42 -33.02 74.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.458 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.29 -49.73 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.423 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -64.63 -45.94 84.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.705 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -64.24 -47.83 78.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.565 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.419 ' O ' ' OE2' ' A' ' 92' ' ' GLU . . . -57.95 -41.48 82.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.365 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 72.7 t80 -56.76 -45.37 82.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.342 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -63.52 -43.69 96.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.929 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.17 -42.01 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.042 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -70.29 -21.24 62.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.196 -179.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 97.3 m-20 -91.82 69.84 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.318 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.66 -40.94 93.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.413 ' OD1' ' N ' ' A' ' 95' ' ' ASP . 35.2 p-10 -80.17 -2.41 44.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.435 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.49 20.81 52.75 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 49.6 p-10 -69.23 -25.45 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.6 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 83.64 24.88 48.59 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -143.33 143.94 31.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.915 0.388 . . . . 0.0 110.521 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 mm -99.51 110.79 27.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.081 0.467 . . . . 0.0 110.486 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 p -96.69 178.26 5.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.529 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.9 80.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.409 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.0 -47.38 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.341 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.65 -40.27 76.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.505 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.489 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.7 tp -65.2 -31.85 73.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -69.3 -42.54 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.981 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -56.19 -41.66 75.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.295 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.22 -45.35 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.436 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.598 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.99 -39.67 95.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.6 m -63.52 -41.09 98.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.261 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -61.51 -36.96 82.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.187 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.3 mt -76.04 -3.33 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.69 28.11 30.31 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -124.39 142.39 51.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.922 0.391 . . . . 0.0 110.391 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -131.94 120.88 23.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 mt -115.28 158.24 22.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.441 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 118' ' ' ASP . 6.5 m -75.4 166.31 23.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.455 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.484 ' N ' HG22 ' A' ' 117' ' ' THR . 96.6 m-20 -63.13 -41.56 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.611 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.19 -36.73 77.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.576 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.98 -41.19 95.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.53 -45.69 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.467 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.18 -47.23 84.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.449 ' O ' ' OE2' ' A' ' 127' ' ' GLU . 80.1 mm-40 -67.14 -39.56 86.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.19 -44.19 92.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.534 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.2 mt -63.2 -43.33 98.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.381 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -60.12 -45.55 92.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.57 ' N ' ' OE1' ' A' ' 127' ' ' GLU . 0.4 OUTLIER -68.64 -34.33 75.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.746 179.786 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.22 -30.66 27.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.72 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.552 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 64.9 t0 -67.41 115.56 7.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.1 -43.79 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.463 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 13.6 p30 -89.72 5.08 47.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.568 -179.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.7 38.66 3.19 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.552 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.2 p-10 -87.35 -5.26 58.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.295 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.87 -6.74 61.25 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.503 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 77.9 mt-30 -137.11 150.39 47.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 110.42 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.9 t -102.83 122.22 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.96 0.409 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.52 172.2 8.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.634 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.417 ' O ' HG23 ' A' ' 142' ' ' VAL . 90.6 t80 -59.48 -48.0 83.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.488 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -63.84 -43.06 97.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.689 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -68.93 -38.81 79.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.708 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -60.88 -48.28 82.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.216 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 138' ' ' TYR . 78.5 t -57.37 -44.47 84.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.148 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -65.1 -46.58 80.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.603 179.522 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.6 ttm -58.51 -33.02 69.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.216 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 82.8 mmm -81.25 -33.01 33.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.804 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.686 HG22 ' O ' ' A' ' 146' ' ' THR . 88.4 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.727 0.298 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.46 -35.33 80.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.645 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.94 -36.23 82.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.475 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.0 mt -64.38 -42.84 96.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.429 ' NH1' ' OH ' ' A' ' 138' ' ' TYR . 91.5 mtt-85 -61.68 -43.33 99.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.733 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.454 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 98.5 mt-10 -66.91 -41.25 87.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.86 -40.48 72.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.058 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.13 -45.0 83.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.312 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 87' ' ' GLU . 86.0 mtm180 -59.94 -45.34 92.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.394 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.2 t -58.21 -41.03 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -72.5 -21.1 61.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.449 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 36.0 t0 -100.45 66.04 1.24 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.245 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -60.56 -37.5 81.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -78.97 4.07 15.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.13 24.76 67.46 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.711 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -86.45 118.86 26.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.338 0.59 . . . . 0.0 109.834 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.2 1.26 0.03 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.711 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 64.2 m-85 -128.42 143.25 50.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.056 0.455 . . . . 0.0 110.449 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -101.57 123.48 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.434 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -96.55 179.82 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.35 91.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.632 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.82 -49.38 65.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.462 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -66.24 -37.16 84.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.316 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.487 ' O ' HG12 ' A' ' 108' ' ' VAL . 47.5 tp -62.46 -31.35 72.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.235 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -73.96 -31.51 63.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 0.0 110.59 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -58.26 -42.22 85.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.782 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 105' ' ' LEU . 0.8 OUTLIER -65.49 -40.33 87.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.447 ' SD ' HD12 ' A' ' 116' ' ' LEU . 61.0 mtt -68.95 -37.34 78.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.207 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.4 m -59.17 -24.81 63.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.485 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 57.2 t-20 -56.98 -30.87 64.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.75 -33.41 70.77 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 120.734 0.302 . . . . 0.0 110.459 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.54 19.29 11.42 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -129.36 113.17 14.63 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.784 0.326 . . . . 0.0 110.275 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -82.41 139.15 34.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.447 HD12 ' SD ' ' A' ' 109' ' ' MET . 65.2 mt -108.6 163.49 13.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.369 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 118' ' ' ASP . 4.8 m -77.2 164.28 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.514 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.434 ' N ' HG22 ' A' ' 117' ' ' THR . 68.2 t0 -66.23 -41.15 90.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.67 -38.23 86.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -61.09 -45.09 96.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.793 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.3 -45.32 99.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -58.3 -48.46 80.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.939 0.399 . . . . 0.0 110.701 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.58 -39.65 88.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.5 tpt -60.28 -46.16 90.8 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.59 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -63.26 -43.17 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.295 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -60.09 -42.72 95.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.005 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.47 -39.11 85.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.3 -24.85 29.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.715 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 125' ' ' ILE . 42.0 t0 -78.23 100.8 6.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.57 -26.12 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.408 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -84.18 -1.42 55.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.457 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.21 25.84 0.47 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.449 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 31.5 p30 -90.69 -5.6 55.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.628 0.251 . . . . 0.0 110.568 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.56 2.57 69.37 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.523 ' NE2' ' CG ' ' A' ' 99' ' ' TYR . 53.1 tt0 -129.25 143.05 50.71 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.229 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -98.73 122.6 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.264 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -95.42 161.99 13.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.543 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.429 ' OH ' ' NH1' ' A' ' 86' ' ' ARG . 79.2 t80 -59.42 -49.15 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.407 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 45.7 mp0 -60.89 -39.92 91.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.452 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -71.02 -37.53 72.61 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.68 0.276 . . . . 0.0 110.504 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -60.91 -48.47 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.502 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.34 -45.07 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.169 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -63.63 -47.56 80.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 110.733 179.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 61.8 ttp -58.95 -30.81 68.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.333 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 80.6 mmm -87.67 -32.95 18.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.524 -179.822 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.485 ' N ' ' OE1' ' A' ' 82' ' ' GLU . 56.2 mp0 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.698 0.285 . . . . 0.0 110.748 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -64.42 -37.97 89.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.76 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -66.03 -36.03 82.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.463 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.5 -43.85 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.432 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' A' ' 82' ' ' GLU . 83.4 mtt85 -61.23 -43.51 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.558 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -65.92 -43.62 87.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.43 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.87 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.425 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.48 -46.46 90.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.367 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' A' ' 90' ' ' ARG . 59.4 ttm-85 -63.7 -47.09 82.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.384 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.57 -41.12 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.207 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 104' ' ' GLU . 45.0 tp10 -71.23 -23.83 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.332 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -87.01 77.86 9.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.481 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -60.69 -41.89 96.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.664 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 97' ' ' ASN . 7.9 m-20 -77.65 -2.46 36.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.333 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.26 21.55 0.74 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' ASP . 27.5 p-10 -78.18 -10.34 59.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 110.606 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.63 21.52 57.87 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -142.92 146.3 33.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.382 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.9 mm -109.68 122.27 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.996 0.426 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 11.3 t -97.97 179.71 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.426 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.489 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -57.37 -47.08 82.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.551 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.56 -49.01 73.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.55 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' A' ' 92' ' ' GLU . 41.7 mt-10 -71.46 -40.35 70.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.06 -33.14 74.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -71.26 -34.65 70.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.462 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -55.7 -41.04 73.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.173 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.66 -45.69 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.3 mmt -61.94 -37.74 85.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.531 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 m -57.56 -39.4 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -58.45 -37.19 74.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 112' ' ' LEU . 11.2 mp -69.82 -31.35 69.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.401 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.19 30.11 5.8 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -108.93 133.23 53.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.088 0.471 . . . . 0.0 110.214 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -103.77 107.13 17.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.6 mt -110.87 145.9 37.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.1 p -77.04 169.2 18.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.407 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 39.2 p-10 -62.94 -41.41 99.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 79.4 tt0 -68.91 -40.06 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.657 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -61.71 -40.96 96.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.26 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.37 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.45 -49.1 79.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.499 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.57 -36.6 83.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.726 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 tpp -59.39 -39.55 83.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.96 0.409 . . . . 0.0 110.355 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -67.11 -42.49 88.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.63 -47.01 85.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.391 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.57 -34.09 77.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.46 -28.2 31.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.549 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 42.9 t0 -67.5 110.05 3.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.235 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.9 mt -70.43 -44.34 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.981 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.468 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 32.2 p30 -93.28 8.48 40.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.705 -179.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.19 45.44 6.32 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.56 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 36.3 p-10 -92.62 0.28 57.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.508 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.406 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 75.48 -10.77 10.93 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.423 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 88.0 mt-30 -136.55 150.93 48.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.448 . . . . 0.0 110.546 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.1 t -95.88 124.19 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.079 0.466 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -92.41 162.09 14.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.38 -49.96 75.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.343 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.48 -39.03 82.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.458 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.67 -33.84 64.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.693 0.282 . . . . 0.0 110.451 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.5 -50.0 73.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.399 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.98 -47.37 90.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.234 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 -66.53 -47.46 72.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.009 0.433 . . . . 0.0 110.752 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 144' ' ' MET . 12.5 tmm? -60.26 -32.6 71.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.3 mmm -74.78 -39.45 61.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 146' ' ' THR . 86.2 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.616 -179.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.575 0.226 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -63.59 -36.7 84.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.558 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -64.29 -34.43 78.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.419 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 28.1 mm -61.82 -46.51 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.498 -179.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -63.19 -44.18 96.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 91' ' ' VAL . 94.2 mt-10 -67.37 -44.56 78.66 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 121.182 0.515 . . . . 0.0 110.477 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.452 ' O ' ' OE1' ' A' ' 92' ' ' GLU . . . -63.06 -48.3 79.26 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.92 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -55.64 -55.22 34.63 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.521 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 91' ' ' VAL . 14.7 ptm180 -63.44 -44.62 94.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 0.0 111.093 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.2 t -58.23 -41.37 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 92' ' ' GLU . 1.2 mp0 -71.87 -17.14 62.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.282 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 15.4 t0 -85.36 83.03 8.09 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.241 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.02 -45.13 93.79 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 120.801 0.334 . . . . 0.0 111.069 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.54 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 25.1 p-10 -81.23 -1.78 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . 0.545 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 51.11 22.74 6.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.54 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 44.4 p-10 -72.16 -11.23 60.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.532 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 81.74 23.5 57.78 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -143.05 145.16 32.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.867 0.365 . . . . 0.0 110.479 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -104.17 119.68 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.317 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.5 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 8.2 t -109.03 179.06 4.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.467 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . 0.5 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -54.28 -44.79 72.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.04 -48.5 70.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.208 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.25 -36.84 69.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.923 0.392 . . . . 0.0 110.449 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -62.36 -31.35 71.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.243 0.544 . . . . 0.0 110.008 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -65.68 -39.35 91.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -54.66 -41.55 70.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.213 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 88.9 t -66.1 -44.44 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.431 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.445 ' SD ' HD12 ' A' ' 116' ' ' LEU . 57.7 mtt -63.73 -41.84 97.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.35 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.7 m -60.51 -40.33 91.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.11 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -58.53 -31.75 68.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.279 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.3 -20.39 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.33 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.46 22.28 44.58 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -139.52 104.39 4.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.894 0.378 . . . . 0.0 110.45 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -82.43 140.62 33.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.324 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.445 HD12 ' SD ' ' A' ' 109' ' ' MET . 49.1 mt -112.35 163.08 14.83 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -75.45 164.36 26.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.522 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.49 -40.71 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.4 mp0 -67.27 -38.33 84.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.688 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -61.42 -45.68 93.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.89 -45.98 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.575 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -58.65 -48.96 79.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.768 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.27 -36.84 84.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.688 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ttt -61.86 -41.08 97.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.487 . . . . 0.0 110.511 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 129' ' ' ASP . 97.1 mt -67.32 -42.85 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.988 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.87 -44.99 95.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.608 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.73 -30.63 64.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.06 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.64 -29.78 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.714 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.553 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 62.9 t0 -65.97 115.66 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.5 mt -70.18 -44.05 78.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.453 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 18.6 p30 -91.28 7.71 39.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.659 -179.061 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.96 37.1 2.06 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.553 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 46.8 p-10 -85.2 -2.37 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.478 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.7 -6.41 54.05 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.502 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 42.8 tt0 -131.85 144.95 51.26 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.213 0.53 . . . . 0.0 110.511 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.72 124.24 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -98.17 170.75 8.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.701 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -61.52 -47.54 85.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.55 -40.85 88.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.67 -43.73 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.453 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -60.84 -50.59 72.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.267 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.25 -43.76 86.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.949 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -61.01 -48.9 79.67 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.472 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.9 mtm -65.18 -34.56 78.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.012 0.434 . . . . 0.0 110.533 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -75.25 -39.65 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.634 HG22 ' O ' ' A' ' 146' ' ' THR . 34.6 m . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.781 -179.326 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.685 0.278 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.89 -38.57 91.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.716 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.47 -32.4 73.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.758 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.74 -45.99 96.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.464 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.91 -44.9 91.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.386 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.67 -36.65 81.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.567 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.64 86.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -56.45 -44.08 80.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.26 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -55.76 -45.01 78.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.231 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 93' ' ' ASP . 94.5 t -66.48 -42.1 89.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.419 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -72.99 13.73 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.415 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 91' ' ' VAL . 4.3 m-20 -149.88 65.31 0.98 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.025 0.44 . . . . 0.0 110.686 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -58.53 -32.06 68.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -77.89 -1.0 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.582 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.59 30.95 79.31 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.6 ' C ' ' H ' ' A' ' 99' ' ' TYR . 3.3 t-20 -89.01 117.26 27.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.232 0.539 . . . . 0.0 110.43 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.03 -0.51 0.05 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.6 ' H ' ' C ' ' A' ' 97' ' ' ASN . 91.0 m-85 -129.82 149.88 51.36 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.9 mt -107.11 127.29 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.333 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.4 p -101.28 179.37 4.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.392 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.21 92.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.716 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.44 -47.29 66.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.141 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -70.57 -34.38 72.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.004 0.43 . . . . 0.0 109.978 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.61 -32.57 73.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.269 0.556 . . . . 0.0 110.384 -179.615 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.96 -35.48 80.81 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.729 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . 0.446 ' O ' ' OG1' ' A' ' 110' ' ' THR . 28.1 m170 -54.42 -40.35 68.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.917 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.73 -44.74 94.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.225 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . 0.587 ' SD ' ' N ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -61.83 -40.4 95.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.538 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 69.1 p -63.09 -33.04 74.59 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.487 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -64.06 -41.82 97.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.555 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 112' ' ' LEU . 11.0 mp -72.06 -30.88 65.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.06 -14.7 44.39 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.71 145.05 52.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.673 0.273 . . . . 0.0 110.314 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -115.96 113.42 23.25 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.982 0.42 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.6 mt -118.22 158.85 24.37 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.211 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.9 p -83.5 167.68 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.388 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.61 -40.61 97.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.743 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.49 -39.24 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.62 -38.88 92.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.55 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.82 -46.94 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.435 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.28 -46.1 91.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.32 -36.87 82.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.579 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 37.7 tpp -61.61 -45.14 95.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.441 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.8 mt -63.33 -42.97 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.3 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -56.92 -42.1 79.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.462 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.25 -36.29 83.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.564 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.78 -24.06 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 50.1 t0 -62.0 111.42 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.358 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 mm -68.53 -44.53 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.253 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 39.6 p30 -98.2 14.36 28.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.991 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.46 35.15 1.86 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.536 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.4 p-10 -80.11 -1.52 40.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.655 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 79.28 -3.07 68.13 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.464 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 98.8 mt-30 -140.22 157.34 45.74 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 110.329 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.9 t -98.68 122.09 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.147 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -91.92 161.15 14.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.362 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -59.3 -50.22 74.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.35 -37.89 79.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.39 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.418 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 39.3 mt-10 -75.28 -32.69 61.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.93 -47.79 84.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.394 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.41 -45.93 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.001 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -65.55 -45.24 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.523 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 52.8 ttm -59.12 -32.88 70.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.301 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 17.8 tpp -86.65 -33.52 20.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.429 HG22 ' O ' ' A' ' 146' ' ' THR . 8.9 m . . . . . 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 110.682 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.725 0.298 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.38 -40.85 98.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.769 -178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -58.48 -31.32 67.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.0 mm -59.39 -43.7 90.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.15 -46.41 90.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.63 -36.84 76.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.42 -43.83 84.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.532 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -56.79 -43.9 81.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -58.28 -45.35 88.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' A' ' 93' ' ' ASP . 94.8 t -69.64 -41.0 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.666 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 97.4 mt-10 -73.45 10.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 91' ' ' VAL . 43.8 t0 -130.87 68.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.671 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.24 -40.11 89.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.609 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 97' ' ' ASN . 5.2 m-20 -76.01 -2.73 32.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.281 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.15 19.89 0.45 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 9.9 p-10 -73.17 -12.76 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.377 . . . . 0.0 110.562 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.02 15.57 62.58 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.49 ' C ' HD12 ' A' ' 100' ' ' ILE . 96.3 m-85 -138.97 143.24 38.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.555 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.51 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.5 mp -101.08 121.13 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.3 p -98.3 179.42 4.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.623 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.08 83.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.616 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.92 -48.56 60.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.274 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 16.4 mt-10 -64.35 -35.48 81.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.473 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.1 -31.33 72.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.463 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -69.01 -42.01 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.027 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -56.05 -41.27 74.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.438 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.3 t -65.33 -49.02 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.646 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 84.7 mmm -65.52 -39.02 91.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.9 m -57.2 -37.61 72.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.446 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -59.65 -40.74 88.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 112' ' ' LEU . 10.9 mp -72.81 -8.2 54.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.4 -2.68 83.37 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -69.68 123.63 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -102.62 106.79 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.538 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.7 mt -118.28 157.12 27.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.485 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.0 p -86.34 167.69 14.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.629 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.18 -36.69 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.34 -39.89 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.55 -44.45 96.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.88 -47.02 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.478 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -58.53 -47.69 83.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.55 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.87 -38.2 85.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.0 tpt -61.7 -40.35 94.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' ASP . 4.7 mm -64.02 -44.41 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.702 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -59.13 -41.48 88.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.92 -40.02 79.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.07 -26.2 48.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.58 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 60.6 t0 -63.23 112.56 2.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.647 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.432 HD12 ' HG2' ' A' ' 140' ' ' GLU . 42.2 mt -69.89 -44.05 79.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 16.4 p30 -89.99 8.24 33.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.674 -179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.98 38.59 2.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.58 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.1 p-10 -89.71 0.61 56.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 110.622 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 83.2 -0.77 89.55 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.49 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 87.5 mt-30 -139.6 159.48 42.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 0.0 110.516 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.1 t -108.54 129.97 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.369 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -94.17 174.01 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.551 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -60.72 -49.59 76.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 139' ' ' GLU . 56.4 mp0 -61.78 -36.73 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.432 ' HG2' HD12 ' A' ' 130' ' ' ILE . 27.1 mt-10 -66.47 -44.63 82.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.675 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.1 -47.71 83.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.9 -46.73 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.107 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -66.54 -44.25 82.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.599 179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.8 ttm -59.42 -38.33 80.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.46 -42.46 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.653 ' O ' HG22 ' A' ' 146' ' ' THR . 49.3 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.57 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.473 -1.451 . . . . 0.0 109.473 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.6 m -58.97 -41.84 88.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.948 0.404 . . . . 0.0 110.561 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -126.21 121.2 32.06 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.601 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.727 ' CD2' ' H ' ' A' ' 60' ' ' HIS . 63.9 t60 -151.19 -134.49 0.06 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.459 179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.727 ' H ' ' CD2' ' A' ' 59' ' ' HIS . 52.1 t-80 43.37 71.33 0.24 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.457 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -96.68 7.18 47.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.604 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -72.2 146.09 47.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.632 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -59.5 -44.89 93.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.489 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 66.27 170.67 3.73 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 14.2 m -90.19 -9.17 49.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.773 0.321 . . . . 0.0 110.639 179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 28.1 t -67.47 142.94 56.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.53 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -66.13 -37.25 92.86 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.097 -0.801 . . . . 0.0 111.097 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 53.72 29.5 9.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.785 0.326 . . . . 0.0 110.576 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.415 ' HA ' HD22 ' A' ' 69' ' ' ASN . 10.7 m120 -64.63 -34.78 79.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.461 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.593 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.1 mp -61.14 -19.04 61.06 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.46 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.8 t80 -59.12 -41.52 88.38 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.585 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -62.7 -37.09 85.12 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.674 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -64.1 -30.41 71.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.747 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 35.9 t -59.51 -40.84 88.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.679 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 58.4 mt -62.32 -41.38 98.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.66 -179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 53.3 mtt -71.99 -8.29 53.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.607 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -110.43 -165.33 0.99 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.405 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 40.4 t0 61.98 95.08 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.726 179.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 68.3 p -140.48 148.22 40.78 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.59 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -81.27 -71.15 0.49 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.033 0.444 . . . . 0.0 110.701 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 75.7 m -147.08 145.68 29.71 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.554 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -52.68 -34.72 53.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.766 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -64.89 -40.31 94.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.824 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -63.18 -39.94 96.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.669 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.413 HG23 ' SD ' ' A' ' 145' ' ' MET . 96.7 mt -64.43 -44.08 97.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.436 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 41.6 ttm180 -61.16 -45.02 96.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.632 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -66.24 -41.05 90.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.631 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.74 -39.2 70.8 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.341 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -56.97 -45.57 82.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.347 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 85.6 mtm180 -62.39 -45.26 93.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.582 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.9 t -60.21 -42.4 90.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.359 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -71.76 -24.39 61.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.511 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.426 ' CG ' ' H ' ' A' ' 98' ' ' GLY . 47.6 t0 -92.12 60.8 3.84 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.241 179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 16.2 ptpt -59.58 -37.1 77.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.677 -179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.6 p-10 -80.32 -2.79 46.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.631 -179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 56.72 21.48 36.33 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.415 ' O ' ' CD2' ' A' ' 99' ' ' TYR . 52.1 p-10 -70.54 -17.25 62.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.807 0.337 . . . . 0.0 110.48 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.426 ' H ' ' CG ' ' A' ' 93' ' ' ASP . . . 78.32 22.44 67.78 Favored Glycine 0 CA--C 1.522 0.484 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.415 ' CD2' ' O ' ' A' ' 97' ' ' ASN . 84.9 m-85 -143.41 147.18 34.21 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 120.908 0.385 . . . . 0.0 110.579 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.441 ' O ' ' NE2' ' A' ' 135' ' ' GLN . 19.2 mm -102.68 114.71 42.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-O 120.969 0.414 . . . . 0.0 110.569 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.0 m -96.61 174.47 6.82 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.435 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -52.63 -47.88 66.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.4 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.55 -48.89 68.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.323 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 84.4 mt-10 -70.98 -35.95 72.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.359 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.683 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.1 tt -63.43 -33.64 76.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.126 0.489 . . . . 0.0 110.409 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.2 mtp-105 -70.42 -33.01 70.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.602 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.641 ' CE1' HD21 ' A' ' 111' ' ' ASN . 2.9 t-80 -55.37 -41.52 72.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.119 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 94.4 t -68.35 -45.26 82.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.728 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.7 mmm -64.94 -43.48 92.59 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.615 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 98.5 m -61.63 -41.1 97.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.189 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.641 HD21 ' CE1' ' A' ' 107' ' ' HIS . 89.4 m-20 -60.29 -37.91 82.0 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.308 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 88.5 mt -72.44 -12.38 61.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.948 0.404 . . . . 0.0 110.468 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.94 -3.74 62.6 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.827 -0.909 . . . . 0.0 110.827 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.6 tt0 -82.54 130.53 35.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.95 0.405 . . . . 0.0 110.417 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -122.55 115.61 22.47 Favored 'General case' 0 C--O 1.233 0.194 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.602 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 33.7 mt -111.71 156.1 22.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.533 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 6.5 p -76.53 169.99 17.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.457 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -63.29 -41.64 99.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.751 -179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.78 -37.02 81.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.721 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -63.86 -41.23 97.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.715 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 56.5 t -62.1 -46.12 97.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.473 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -58.67 -49.11 78.74 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.481 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.32 -38.59 78.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.762 179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 50.3 ttp -61.4 -47.4 85.97 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.838 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.55 -45.02 98.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.761 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -60.93 -44.38 97.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.855 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -71.43 -35.08 70.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.759 179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -77.85 -30.34 50.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.591 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 27.9 t70 -72.31 112.4 8.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.379 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 67.8 mt -68.54 -43.23 83.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.909 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.466 ' N ' ' OD1' ' A' ' 131' ' ' ASP . 20.5 p-10 -80.91 2.6 25.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.746 -179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.561 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 42.05 31.25 0.83 Allowed Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.902 -0.879 . . . . 0.0 110.902 179.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.591 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.6 p-10 -83.94 -0.89 53.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.878 0.371 . . . . 0.0 110.465 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 76.72 -7.94 31.04 Favored Glycine 0 CA--C 1.52 0.39 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.441 ' NE2' ' O ' ' A' ' 100' ' ' ILE . 46.4 tp60 -133.31 146.92 51.79 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.022 0.439 . . . . 0.0 110.422 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.4 t -97.75 124.6 50.83 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.189 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -91.19 164.35 13.93 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.39 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -59.11 -49.8 76.47 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.33 -179.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 57.8 mp0 -59.57 -37.39 78.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.408 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -75.02 -37.02 61.89 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.588 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 61.4 t80 -60.48 -50.63 72.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.502 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 86.6 t -58.29 -46.3 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.171 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.542 ' O ' ' N ' ' A' ' 147' ' ' ALA . 22.3 mm100 -65.31 -44.31 88.3 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.57 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.6 ttm -54.22 -31.97 54.62 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.298 -179.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 28.4 mtt -92.73 -32.31 14.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.959 0.409 . . . . 0.0 110.96 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.671 ' O ' HG22 ' A' ' 146' ' ' THR . 91.3 m -94.11 8.21 42.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.68 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -58.82 143.55 47.01 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.493 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 58.6 mttp . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 117.963 -1.017 . . . . 0.0 110.658 -179.88 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.325 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.1 p -65.65 -18.95 65.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.811 0.339 . . . . 0.0 110.534 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -76.16 80.41 2.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.544 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 76.4 m80 -66.03 -40.97 91.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.556 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.3 p-80 -155.31 20.09 0.42 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.569 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 62' ' ' HIS . 64.9 t-80 -58.66 -41.96 87.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.579 -179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.404 ' O ' ' O ' ' A' ' 61' ' ' HIS . 99.5 m-70 -54.62 -167.28 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.639 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -72.83 136.45 45.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.455 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 65' ' ' SER . . . -170.31 -135.49 1.92 Allowed Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 64' ' ' GLY . 1.4 m 57.85 158.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.819 0.343 . . . . 0.0 110.61 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.2 m -58.97 -41.19 86.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.505 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.448 ' C ' ' H ' ' A' ' 69' ' ' ASN . . . 149.12 29.13 0.06 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.54 21.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.871 0.367 . . . . 0.0 110.505 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.448 ' H ' ' C ' ' A' ' 67' ' ' GLY . 89.4 m-20 -63.6 -33.57 75.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.589 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 58.7 mt -62.11 -33.53 74.62 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.727 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -57.15 -46.3 82.85 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.476 -179.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -64.96 -40.96 95.78 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.631 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -69.29 -24.74 63.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.748 -179.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.421 ' O ' ' O ' ' A' ' 77' ' ' LYS . 19.2 m -57.51 -39.43 76.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.619 -179.488 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.2 mp -63.33 -41.7 98.92 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.693 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 4.9 ttt -76.32 7.16 4.58 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.458 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.421 ' O ' ' O ' ' A' ' 74' ' ' SER . 79.4 tttt -139.98 162.19 35.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.471 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.9 t70 68.57 140.06 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.552 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.807 ' OG1' HD11 ' A' ' 85' ' ' ILE . 3.8 t -146.1 153.61 40.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.6 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.53 -54.17 31.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.721 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.7 t -163.69 138.25 6.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.608 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.67 -41.27 63.68 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.486 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 tt0 -65.43 -41.21 93.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.756 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -64.35 -35.4 80.75 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.616 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.807 HD11 ' OG1' ' A' ' 79' ' ' THR . 94.9 mt -63.04 -44.96 99.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.343 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -62.88 -46.61 87.03 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.791 0.329 . . . . 0.0 110.529 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 71.4 mm-40 -67.62 -42.23 82.67 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.478 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.98 -36.76 68.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.082 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -58.75 -46.37 87.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.454 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 17.6 mmm180 -60.44 -44.64 95.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.708 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.3 t -61.27 -42.93 95.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.301 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.9 -26.38 62.3 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.34 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 42.9 t0 -88.95 67.4 8.16 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.576 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 21.0 pttp -57.48 -36.68 71.81 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.374 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.402 ' C ' ' N ' ' A' ' 97' ' ' ASN . 13.8 m-20 -79.74 -3.39 47.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.233 -179.651 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.59 20.95 0.69 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.402 ' N ' ' C ' ' A' ' 95' ' ' ASP . 37.8 p-10 -77.46 -11.38 59.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.806 0.336 . . . . 0.0 110.617 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.21 19.77 56.49 Favored Glycine 0 CA--C 1.522 0.487 0 N-CA-C 110.782 -0.927 . . . . 0.0 110.782 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.516 ' CE1' ' ND2' ' A' ' 137' ' ' ASN . 81.6 m-85 -142.32 146.55 35.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.894 0.378 . . . . 0.0 110.337 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 74.1 mt -109.72 112.55 41.0 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-O 121.058 0.456 . . . . 0.0 110.256 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 p -88.45 178.54 6.52 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.564 179.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.62 -44.36 89.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.554 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.68 -46.92 77.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.358 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 26.9 mt-10 -68.51 -39.6 81.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.417 179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.519 HD22 HD11 ' A' ' 125' ' ' ILE . 49.2 tp -62.62 -28.6 70.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.545 179.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 43.4 ttm180 -68.79 -40.6 79.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.81 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.46 ' O ' ' OG1' ' A' ' 110' ' ' THR . 6.5 m-70 -55.75 -41.81 74.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.081 -0.509 . . . . 0.0 109.976 -178.862 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 87.0 t -66.1 -44.49 91.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.379 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.46 ' SD ' HD13 ' A' ' 116' ' ' LEU . 50.4 ttp -63.81 -42.74 97.6 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.486 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 20.5 p -56.37 -33.99 66.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.277 -179.571 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.423 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 63.1 t-20 -65.2 -35.94 82.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.309 179.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 60.5 mt -69.73 -32.31 70.79 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.49 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 96.54 25.22 12.34 Favored Glycine 0 CA--C 1.521 0.408 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -106.12 137.5 43.94 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.83 0.348 . . . . 0.0 110.136 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.613 ' C ' HD12 ' A' ' 116' ' ' LEU . 98.9 mttt -108.67 107.8 18.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.776 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.613 HD12 ' C ' ' A' ' 115' ' ' LYS . 11.2 mp -113.7 151.05 32.39 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.015 0.436 . . . . 0.0 110.496 179.462 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 43.0 p -76.64 164.91 25.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.365 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 -62.77 -39.58 94.62 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.57 -179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -65.96 -40.57 91.41 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.573 -179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -60.63 -44.05 96.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.754 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 67.4 t -61.9 -44.71 99.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.531 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -58.89 -43.98 91.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.597 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -65.72 -36.72 84.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.654 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 40.0 mtt -62.2 -40.79 97.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.681 -179.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.519 HD11 HD22 ' A' ' 105' ' ' LEU . 38.6 mm -66.46 -43.37 91.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.813 -179.741 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -63.46 -48.26 78.42 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.48 -178.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -71.22 -37.57 72.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.992 -179.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.7 -31.3 66.61 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.845 -179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' A' ' 132' ' ' GLY . 28.5 t0 -70.94 120.02 15.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.442 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 62.8 mt -68.13 -45.43 83.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.979 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.475 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 3.1 p30 -91.26 11.81 22.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.835 -179.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . 0.529 ' N ' ' OD1' ' A' ' 129' ' ' ASP . . . 43.38 47.72 6.94 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 111.139 -0.784 . . . . 0.0 111.139 179.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.506 ' H ' ' CG ' ' A' ' 129' ' ' ASP . 89.4 m-20 -85.91 -5.89 59.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.771 0.32 . . . . 0.0 110.341 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 85.06 -7.45 75.04 Favored Glycine 0 CA--C 1.52 0.388 0 N-CA-C 110.732 -0.947 . . . . 0.0 110.732 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -140.63 155.29 46.58 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.066 0.46 . . . . 0.0 110.308 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.7 t -92.85 124.38 45.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.463 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.516 ' ND2' ' CE1' ' A' ' 99' ' ' TYR . 15.2 t-20 -97.57 171.25 8.48 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.482 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.421 ' N ' ' CG ' ' A' ' 137' ' ' ASN . 89.8 t80 -59.75 -48.84 80.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.37 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -59.47 -40.74 87.9 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.171 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 16.1 mt-10 -70.55 -38.19 74.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.28 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -61.6 -51.06 70.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.426 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.6 t -57.71 -45.2 86.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 N-CA-C 109.711 -0.478 . . . . 0.0 109.711 -179.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 147' ' ' ALA . 15.9 mm100 -64.91 -44.75 88.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.941 0.401 . . . . 0.0 110.438 179.216 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 47.3 ttm -57.35 -32.54 66.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.14 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 14.8 mmt -90.53 -34.08 15.67 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.936 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.5 m -96.52 13.05 29.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.962 0.411 . . . . 0.0 110.5 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -57.48 142.91 42.57 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.43 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? . . . . . 0 C--O 1.219 -0.532 0 CA-C-O 118.022 -0.989 . . . . 0.0 110.487 -179.919 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.258 0 N-CA-C 109.501 -1.44 . . . . 0.0 109.501 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.3 m -141.46 149.55 41.12 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.827 0.346 . . . . 0.0 110.559 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -82.85 162.17 21.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.56 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 -66.32 126.86 30.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.46 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -100.49 126.74 46.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.6 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 78.0 m80 -56.97 -78.18 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.516 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 32.3 p-80 -174.78 76.47 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.597 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -67.62 -44.59 77.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.723 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.485 ' O ' ' N ' ' A' ' 66' ' ' SER . . . -56.68 -68.04 1.9 Allowed Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 -179.773 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p 43.28 20.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.664 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.485 ' N ' ' O ' ' A' ' 64' ' ' GLY . 26.8 m -71.69 148.14 46.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.394 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -174.97 99.54 0.14 Allowed Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.404 ' H ' ' HB2' ' A' ' 71' ' ' TYR . 34.8 tt0 -173.38 -135.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.881 -0.328 . . . . 0.0 110.388 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -76.18 -30.64 58.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.628 179.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.3 mp -77.87 -9.09 58.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.471 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.404 ' HB2' ' H ' ' A' ' 68' ' ' GLU . 91.1 t80 -59.47 -42.49 92.17 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.293 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -59.39 -45.27 91.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.567 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.3 mm100 -64.72 -28.55 69.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.618 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 13.3 p -58.67 -33.49 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.511 -179.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -62.78 -40.65 97.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.521 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 9.3 ttt -68.36 -14.44 63.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.6 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -109.35 141.28 41.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.573 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.438 ' N ' ' OD1' ' A' ' 78' ' ' ASP . 32.3 p-10 -174.78 124.28 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.567 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.436 ' O ' ' OD1' ' A' ' 80' ' ' ASP . 4.0 t -151.72 149.84 29.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.442 179.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 79' ' ' THR . 92.0 m-20 -142.69 -79.35 0.23 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.431 179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.2 t -140.94 138.06 33.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.202 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 76.6 mt-10 -49.52 -47.48 48.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.545 -178.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.461 ' CG ' ' N ' ' A' ' 84' ' ' GLU . 9.8 pt-20 -61.59 -43.16 99.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.825 0.345 . . . . 0.0 110.813 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' N ' ' CG ' ' A' ' 83' ' ' GLU . 93.6 mt-10 -62.75 -42.71 99.8 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.625 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.9 mt -62.69 -46.69 95.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.436 -179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 43.1 ttm180 -61.23 -43.89 98.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.357 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -66.84 -41.3 87.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.489 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.79 -42.88 80.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.27 -179.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 41.3 t80 -59.48 -45.32 92.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -61.62 -47.36 85.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.62 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.8 t -58.8 -43.05 87.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.089 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -71.58 -21.14 61.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.45 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.557 ' OD2' ' N ' ' A' ' 97' ' ' ASN . 19.9 t0 -102.69 67.36 0.98 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.22 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.7 mttm -60.24 -34.7 74.05 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.45 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 26.1 p-10 -76.66 -1.16 26.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.565 -179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.46 21.21 66.47 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.591 ' C ' ' H ' ' A' ' 99' ' ' TYR . 4.0 t-20 -81.96 116.36 21.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.211 0.529 . . . . 0.0 110.022 179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -52.06 -1.48 0.05 OUTLIER Glycine 0 CA--C 1.524 0.603 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 179.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.591 ' H ' ' C ' ' A' ' 97' ' ' ASN . 88.3 m-85 -128.66 150.12 50.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.864 0.364 . . . . 0.0 110.195 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 29.9 mm -107.95 127.32 64.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.401 -179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.4 m -101.92 179.25 4.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.443 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.18 -45.83 86.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.835 -179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.24 -48.33 62.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.126 -179.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 36.3 mt-10 -72.21 -35.46 68.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.852 0.358 . . . . 0.0 110.169 178.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -61.47 -36.17 79.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.205 0.526 . . . . 0.0 110.241 -179.547 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 62.8 ttp180 -69.86 -33.04 71.72 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.515 179.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -56.05 -40.94 74.28 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.311 -179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.4 t -64.06 -43.83 97.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.46 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.6 mmt -62.46 -39.71 94.26 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.333 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 15.8 m -61.14 -39.01 88.47 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.341 179.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -60.16 -24.14 64.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.446 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 55.5 mt -71.61 -19.52 62.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.456 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.11 -6.88 60.06 Favored Glycine 0 N--CA 1.462 0.387 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.8 tt0 -120.75 113.62 20.46 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 120.803 0.335 . . . . 0.0 110.463 179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -78.74 138.5 38.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.443 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.7 mt -111.53 161.89 15.7 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.338 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 4.0 p -79.34 167.02 21.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.362 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -63.02 -41.14 99.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.725 -179.607 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -64.98 -37.47 87.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.581 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.506 ' O ' ' SD ' ' A' ' 124' ' ' MET . 66.1 mm-40 -64.0 -40.7 96.96 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.711 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 83.9 t -64.03 -44.95 97.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.508 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -59.93 -46.87 87.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.651 -179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -58.26 -44.7 88.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.734 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.566 ' N ' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -60.86 -44.21 97.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.637 -179.861 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.417 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -64.0 -44.53 97.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.372 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 -61.13 -40.34 93.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.753 -179.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -67.03 -34.48 77.8 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.738 179.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.78 -19.49 27.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.65 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 61.2 t0 -76.84 101.26 5.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.532 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 30.9 mm -66.91 -43.36 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.686 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.426 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 13.3 p-10 -88.18 8.56 26.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.741 -179.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 40.96 37.4 1.38 Allowed Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.615 -0.994 . . . . 0.0 110.615 179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 42.5 p-10 -81.28 -2.84 50.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.813 0.339 . . . . 0.0 110.596 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.413 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 78.23 -2.18 67.12 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.439 ' NE2' ' CD2' ' A' ' 99' ' ' TYR . 40.7 tt0 -133.62 149.49 51.59 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 120.944 0.402 . . . . 0.0 110.407 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.9 t -93.7 125.96 46.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.308 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 95.9 m-20 -97.91 162.16 13.38 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.532 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -61.18 -49.37 77.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.468 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -57.89 -38.32 75.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.37 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.13 -40.65 74.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.537 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -60.38 -48.8 80.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.418 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.502 ' O ' ' N ' ' A' ' 146' ' ' THR . 74.7 t -58.16 -46.9 88.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 N-CA-C 109.953 -0.388 . . . . 0.0 109.953 -179.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 147' ' ' ALA . 57.3 tt0 -54.91 -47.21 74.65 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 89.1 mmm -60.81 -30.23 69.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.294 179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 97.3 mmm -89.16 -27.82 20.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.969 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.502 ' N ' ' O ' ' A' ' 142' ' ' VAL . 4.5 p -98.77 2.24 46.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.899 0.38 . . . . 0.0 110.748 -179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.75 123.09 13.76 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.34 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 117.97 -1.015 . . . . 0.0 110.684 -179.709 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 43.3 t -61.62 -42.14 98.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.335 . . . . 0.0 110.521 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -90.03 129.43 36.35 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.566 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -106.59 120.81 42.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.572 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -68.47 -40.32 81.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.597 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 71.5 m80 -68.67 137.58 54.28 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.583 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 -115.83 150.85 36.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.534 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 61.5 m-70 56.03 -146.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.529 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 76.79 25.52 64.65 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.9 m 61.24 69.83 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.827 0.346 . . . . 0.0 110.565 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 98.8 p -157.36 166.12 33.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.615 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.548 ' O ' ' N ' ' A' ' 69' ' ' ASN . . . 83.11 -172.95 51.8 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.918 -0.873 . . . . 0.0 110.918 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.6 tt0 62.48 -68.29 0.07 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.765 0.317 . . . . 0.0 110.556 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.548 ' N ' ' O ' ' A' ' 67' ' ' GLY . 19.6 p30 -62.06 -31.87 72.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.516 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 43.0 mt -63.62 -39.67 94.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.54 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.4 ' O ' ' OG ' ' A' ' 74' ' ' SER . 90.4 t80 -59.54 -48.87 79.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.485 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.34 -44.53 96.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.604 179.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.2 tt0 -65.73 -23.19 66.69 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.589 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 71' ' ' TYR . 19.9 p -57.85 -41.11 81.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.614 -179.582 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 53.9 mt -65.08 -40.65 94.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.546 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 57.7 mtt -85.17 7.74 20.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.619 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -59.76 133.31 55.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.555 -179.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -84.71 170.45 13.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.455 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 61.1 p -82.81 169.08 16.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.597 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.29 -43.4 96.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.499 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 30.7 t -83.29 53.36 2.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.49 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -62.11 -27.69 69.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.543 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 21.7 pt-20 -62.3 -39.44 93.0 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.709 -179.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -64.02 -42.62 97.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.586 179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.8 mt -64.82 -41.56 92.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.492 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -58.34 -42.95 87.97 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.609 -179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -58.39 -42.87 88.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.491 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -60.4 -43.41 96.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.486 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 44.2 t80 -55.06 -39.02 68.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.266 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.3 mtp85 -66.98 -41.03 87.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.783 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 86.2 t -57.44 -46.65 85.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.444 -179.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.42 ' H ' ' HG2' ' A' ' 92' ' ' GLU . 15.4 pt-20 -72.59 -20.88 61.22 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.543 -179.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 35.0 t0 -88.14 69.27 9.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.437 179.698 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -61.67 -41.84 98.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.786 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.462 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 34.8 p30 -79.08 -1.98 38.38 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.567 -179.396 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 50.96 20.44 4.37 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.462 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 45.9 p-10 -69.52 -20.63 63.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.836 0.351 . . . . 0.0 110.544 179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 86.8 17.63 59.49 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.474 ' C ' HD12 ' A' ' 100' ' ' ILE . 94.3 m-85 -140.34 143.84 35.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.812 0.339 . . . . 0.0 110.637 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.6 mp -101.77 117.79 47.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.443 -179.835 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 12.8 p -98.34 179.47 4.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.594 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.34 -47.36 78.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.593 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -51.62 -45.29 63.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.215 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.416 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 33.9 mt-10 -71.24 -35.69 71.54 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.323 178.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.92 -33.7 75.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.363 179.514 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.4 ttt85 -69.01 -36.53 77.89 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.611 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -55.3 -41.87 72.91 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.498 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 92.9 t -63.07 -45.58 98.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.553 179.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.595 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.47 -40.25 96.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.482 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 27.3 p -65.16 -33.26 75.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.508 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -65.6 -40.3 92.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.546 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.4 ' N ' HD12 ' A' ' 112' ' ' LEU . 9.6 mp -80.5 -7.04 59.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 179.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.9 -3.81 86.65 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -71.15 123.98 23.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.933 0.396 . . . . 0.0 110.492 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 56.5 mtpt -104.16 104.84 14.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.583 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.8 mt -116.63 157.06 25.97 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.338 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 5.8 p -80.77 165.12 22.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.528 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 46.2 t0 -63.44 -38.74 92.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.59 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -66.18 -40.42 90.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 -179.772 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -63.11 -40.57 98.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.56 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.6 t -61.88 -44.84 99.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.539 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -61.07 -43.67 98.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.594 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -62.54 -40.33 96.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.548 -179.735 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 73.2 mmm -62.34 -42.17 99.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.583 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.418 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -63.41 -44.43 98.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.482 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 82.1 mtp180 -60.29 -40.3 89.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.528 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -69.38 -32.82 72.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.627 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.95 -25.06 24.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.674 -179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 52.2 t0 -67.82 107.76 2.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.636 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.97 -44.1 85.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.737 -179.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -92.48 8.39 38.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.739 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.41 42.62 4.53 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.512 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 38.2 p30 -84.11 -3.82 58.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.879 0.371 . . . . 0.0 110.568 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.425 ' O ' ' NE2' ' A' ' 135' ' ' GLN . . . 82.06 -2.18 84.75 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.425 ' NE2' ' O ' ' A' ' 134' ' ' GLY . 98.4 mm-40 -134.94 152.12 51.46 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.865 0.364 . . . . 0.0 110.553 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 74.6 t -100.46 124.39 53.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.588 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.518 ' ND2' ' OE1' ' A' ' 140' ' ' GLU . 6.2 p30 -97.87 179.1 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 89.5 t80 -60.13 -47.33 86.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.581 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -61.64 -39.15 90.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.562 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.518 ' OE1' ' ND2' ' A' ' 137' ' ' ASN . 71.7 mt-10 -72.39 -28.65 63.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.543 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -73.71 -52.28 13.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.757 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 70.2 t -57.05 -49.48 79.36 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.377 -178.584 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.437 ' CD ' ' N ' ' A' ' 144' ' ' MET . 0.0 OUTLIER -66.43 -40.09 89.29 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.914 0.388 . . . . 0.0 110.653 -179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.467 ' SD ' ' C ' ' A' ' 144' ' ' MET . 11.7 tmm? -63.46 -39.62 94.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.572 179.7 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 27.3 ttp -67.92 -31.31 71.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.566 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 146' ' ' THR . 20.2 m -84.28 0.31 49.54 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.546 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -63.0 142.44 58.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.595 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 62.5 tttm . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.992 -1.004 . . . . 0.0 110.585 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.35 0 N-CA-C 109.515 -1.434 . . . . 0.0 109.515 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.2 m -69.02 144.56 54.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.837 0.351 . . . . 0.0 110.437 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -78.58 140.03 38.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.53 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 65.7 t-80 -87.77 121.4 30.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.415 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -155.2 158.84 39.53 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.537 179.895 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.608 ' NE2' ' CE1' ' A' ' 63' ' ' HIS . 31.7 p-80 -150.69 -29.18 0.21 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.572 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.5 t60 45.79 90.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.531 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.608 ' CE1' ' NE2' ' A' ' 61' ' ' HIS . 35.1 m80 -64.12 -34.36 77.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' O ' ' A' ' 65' ' ' SER . . . 84.32 30.24 28.35 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -179.79 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.439 ' O ' ' O ' ' A' ' 64' ' ' GLY . 44.3 m -51.75 -172.33 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.79 0.328 . . . . 0.0 110.596 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 68.3 m -57.6 143.01 42.78 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.438 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 154.45 -24.04 0.66 Allowed Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 49.87 98.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.821 0.343 . . . . 0.0 110.669 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -63.6 -36.61 84.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.536 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.551 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.2 mp -61.57 -37.09 82.55 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.364 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -57.68 -47.89 81.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.37 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 69.3 m-85 -65.06 -39.7 93.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.541 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 65.2 tt0 -62.68 -30.62 71.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.433 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 17.1 m -56.92 -37.25 71.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.516 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.553 HD22 ' N ' ' A' ' 75' ' ' LEU . 4.0 mm? -62.59 -43.46 98.75 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.836 -179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.462 ' O ' ' O ' ' A' ' 77' ' ' LYS . 51.0 mtt -86.9 -8.77 56.95 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.669 179.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' O ' ' O ' ' A' ' 76' ' ' MET . 87.0 tttt 58.2 136.09 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.56 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.479 ' CG ' ' H ' ' A' ' 79' ' ' THR . 36.6 t0 -82.84 -177.66 6.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.428 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.479 ' H ' ' CG ' ' A' ' 78' ' ' ASP . 2.2 t -142.18 148.3 37.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -105.3 -72.72 0.7 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.528 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.2 p -83.13 101.87 11.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.324 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 56.7 mp0 -57.9 -32.72 68.01 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.576 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -59.56 -43.4 93.58 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 96.1 mt-10 -60.91 -33.09 72.61 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.648 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 5.0 mm -64.5 -44.95 96.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.9 mmm-85 -62.25 -43.65 98.36 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.434 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -67.03 -42.14 85.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.333 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.64 -40.64 79.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.323 -179.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -58.48 -46.74 86.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.33 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -63.7 -46.21 86.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.563 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.83 -42.17 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.343 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -71.16 -23.26 62.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.361 -179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.489 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 31.4 t0 -88.34 73.78 8.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.294 179.684 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -61.11 -41.36 96.55 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.961 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 29.0 p-10 -80.75 -1.57 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.524 -179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 51.88 20.69 6.46 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.825 -0.91 . . . . 0.0 110.825 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.503 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.3 p-10 -66.39 -25.95 67.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.839 0.352 . . . . 0.0 110.515 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.503 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 89.74 19.94 45.9 Favored Glycine 0 CA--C 1.521 0.461 0 N-CA-C 110.894 -0.883 . . . . 0.0 110.894 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -143.96 147.49 34.01 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.814 0.34 . . . . 0.0 110.557 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.9 mm -103.28 117.03 48.09 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.259 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.39 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.7 p -98.31 178.96 4.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.447 179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -58.9 -47.67 84.17 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.513 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.445 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -52.39 -46.85 66.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.102 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 81.2 mt-10 -70.48 -35.43 73.26 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.984 0.421 . . . . 0.0 110.447 179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.714 HD22 HD11 ' A' ' 125' ' ' ILE . 4.3 tp -62.64 -32.77 73.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.863 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 95.2 mtm-85 -71.02 -38.31 72.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.425 179.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.471 ' O ' ' OG1' ' A' ' 110' ' ' THR . 27.9 m170 -56.38 -41.55 76.4 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.239 -179.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 75.4 t -64.36 -45.24 96.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.409 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 6.0 mmt -64.82 -39.92 94.37 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.499 -179.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 21.7 p -59.9 -32.23 70.55 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 116.526 -0.306 . . . . 0.0 110.436 -179.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.408 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 54.0 t-20 -64.02 -39.93 95.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.259 179.364 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.461 ' N ' HD12 ' A' ' 112' ' ' LEU . 11.3 mp -75.99 -9.68 58.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.4 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.14 1.11 76.27 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -79.73 128.81 33.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.673 0.273 . . . . 0.0 110.29 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -117.01 111.85 20.14 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.439 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 87.2 mt -116.19 159.87 21.2 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.571 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.498 HG22 ' N ' ' A' ' 118' ' ' ASP . 7.9 m -77.87 165.8 23.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.472 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.498 ' N ' HG22 ' A' ' 117' ' ' THR . 75.3 m-20 -64.34 -40.19 95.39 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.506 -179.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.39 -38.75 88.24 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.604 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.556 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -62.98 -39.79 95.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.35 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 80.2 t -64.88 -44.24 96.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.432 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -60.06 -44.4 94.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.465 -179.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -66.24 -37.57 85.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.646 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 8.3 ttt -61.68 -43.17 99.37 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.522 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.714 HD11 HD22 ' A' ' 105' ' ' LEU . 29.6 mm -63.31 -44.34 99.06 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.411 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.85 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.0 mtt-85 -60.51 -43.0 97.54 Favored 'General case' 0 C--N 1.323 -0.571 0 O-C-N 123.281 0.363 . . . . 0.0 110.806 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -68.78 -34.86 76.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.637 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.33 -27.03 32.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.696 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 51.8 t0 -64.4 109.06 1.8 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.991 0.424 . . . . 0.0 110.386 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 64.2 mt -69.61 -44.06 79.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.979 -179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.2 p30 -92.6 8.02 40.83 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.691 -178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.14 41.59 6.35 Favored Glycine 0 CA--C 1.523 0.583 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.535 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 41.1 p-10 -89.57 -2.03 58.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.702 0.287 . . . . 0.0 110.332 -179.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.479 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 78.33 -6.09 52.77 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.889 -0.885 . . . . 0.0 110.889 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.444 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 58.7 tp60 -135.66 150.81 49.72 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 120.985 0.421 . . . . 0.0 110.172 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 63.0 t -97.47 124.58 50.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.284 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.484 ' OD1' ' N ' ' A' ' 140' ' ' GLU . 2.3 p30 -93.92 169.71 10.08 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.559 -179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -61.23 -49.15 78.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.563 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.13 -37.65 77.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.534 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.484 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 22.4 tt0 -74.71 -36.2 62.71 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 179.64 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -62.6 -51.37 67.59 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.603 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 85.8 t -59.18 -46.17 92.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.133 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 67.0 tp60 -65.57 -45.95 81.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.867 0.365 . . . . 0.0 110.509 179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.4 ttp -59.19 -32.16 69.67 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.349 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 4.1 mmt -92.76 -11.46 33.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.62 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.663 ' O ' HG22 ' A' ' 146' ' ' THR . 86.4 m -112.15 7.34 19.54 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 120.953 0.406 . . . . 0.0 110.627 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.405 ' CB ' ' SD ' ' A' ' 76' ' ' MET . . . -60.53 141.19 56.85 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.0 mttm . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.414 -179.888 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.1 p -69.77 -17.02 63.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.884 0.373 . . . . 0.0 110.551 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 39.6 p-80 -152.96 156.58 39.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.422 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.1 m-70 -109.37 -159.48 0.68 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.454 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.497 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 54.5 t-80 53.71 37.9 27.23 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.619 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' O ' ' CG ' ' A' ' 62' ' ' HIS . 83.4 t60 -153.54 -66.38 0.15 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.34 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.534 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 50.8 p-80 39.94 92.86 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.921 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -161.74 82.47 0.59 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.429 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -83.79 179.94 52.13 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.0 p 70.24 22.71 5.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.87 0.367 . . . . 0.0 110.608 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.4 t -62.45 -44.52 96.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.681 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.25 153.95 24.54 Favored Glycine 0 CA--C 1.52 0.373 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -141.28 121.96 14.29 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.85 0.357 . . . . 0.0 110.511 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 13.7 m120 -64.92 -33.82 76.93 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.644 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.4 mp -68.02 -11.43 58.9 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.509 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -58.56 -47.49 84.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.364 -179.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 m-85 -65.74 -40.51 92.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.694 179.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 98.3 mm-40 -64.36 -29.34 70.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.556 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.5 m -58.11 -34.31 70.07 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.539 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.538 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.6 mp -65.12 -39.07 92.56 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.75 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 55.0 mtt -76.1 7.86 3.76 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.837 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -47.2 138.94 6.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.643 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -78.35 165.31 23.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.46 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 m -94.7 150.71 19.93 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.596 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -63.08 -41.0 99.33 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.466 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.6 m -117.14 110.31 18.02 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 120.871 0.367 . . . . 0.0 110.447 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -58.29 -32.74 68.72 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -58.16 -35.33 71.4 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.599 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 82.2 tt0 -65.51 -32.52 74.16 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.538 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 63.3 mt -63.26 -44.69 99.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.689 -179.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 81.7 mtp180 -62.69 -46.76 86.66 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.867 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -68.33 -41.04 81.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.458 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.01 -39.92 75.65 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.204 -0.453 . . . . 0.0 109.943 -179.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.536 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 72.6 t80 -57.66 -44.9 86.02 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.32 179.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 59.7 ttt85 -62.69 -45.4 92.94 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.68 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 85.0 t -60.46 -41.0 85.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.304 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -69.9 -23.2 63.2 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.425 -179.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.536 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 36.3 m-20 -89.48 69.95 7.97 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.806 0.336 . . . . 0.0 110.43 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -60.08 -41.4 92.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.571 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.502 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 33.5 p-10 -80.35 -1.72 42.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.592 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 55.44 21.01 25.6 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.853 -0.899 . . . . 0.0 110.853 179.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.502 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 50.6 p-10 -71.76 -15.07 62.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.792 0.33 . . . . 0.0 110.345 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.98 23.23 62.01 Favored Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.774 -0.93 . . . . 0.0 110.774 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -143.75 146.81 33.42 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.096 0.474 . . . . 0.0 110.449 179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 mm -102.7 114.23 41.63 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.259 0 CA-C-O 121.187 0.517 . . . . 0.0 110.632 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.468 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 13.1 t -99.74 178.85 4.71 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.364 179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.468 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -56.24 -47.82 77.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.321 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.509 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -53.58 -47.23 70.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.542 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.29 -38.02 71.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.829 179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 6.2 tt -64.78 -31.82 73.22 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.102 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.454 ' HE ' HG21 ' A' ' 121' ' ' VAL . 99.6 mtt180 -70.42 -39.7 74.29 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.023 179.506 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.509 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 19.7 m170 -56.49 -41.12 76.07 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.429 -179.186 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.4 t -62.9 -47.71 91.51 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.727 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 69.6 mtp -67.53 -35.43 79.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.1 m -60.25 -38.98 85.15 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.004 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -57.54 -35.29 70.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.115 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 112' ' ' LEU . 10.9 mp -73.31 -7.33 51.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.393 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.08 13.08 75.3 Favored Glycine 0 CA--C 1.519 0.32 0 N-CA-C 111.224 -0.751 . . . . 0.0 111.224 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -90.33 137.23 32.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.935 0.397 . . . . 0.0 110.216 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.8 ttmp? -119.04 112.53 19.68 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.383 179.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 2.0 mp -116.8 158.75 23.4 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.483 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 12.1 p -78.56 165.98 23.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.523 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -63.99 -41.48 97.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.709 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -65.44 -37.71 87.72 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.739 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -63.84 -41.33 97.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.597 179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.454 HG21 ' HE ' ' A' ' 106' ' ' ARG . 75.2 t -63.28 -45.48 98.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.308 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -59.06 -47.57 84.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.743 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.476 ' O ' ' OE2' ' A' ' 127' ' ' GLU . 81.0 mm-40 -64.24 -37.14 86.43 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.772 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.4 ttt -61.27 -41.76 97.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.671 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.466 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -63.9 -43.73 97.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.411 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 92.6 mtt-85 -60.98 -47.0 88.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.049 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.568 ' N ' ' OE1' ' A' ' 127' ' ' GLU . 0.3 OUTLIER -65.58 -40.66 92.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.982 179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.18 -28.69 48.21 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.491 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 40.4 t0 -75.14 106.77 6.82 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.484 -179.715 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 73.3 mt -73.19 -33.06 40.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.586 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -80.61 -1.45 42.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.43 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.94 28.16 1.68 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.79 -0.924 . . . . 0.0 110.79 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.491 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 27.2 p30 -87.27 -4.93 59.09 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.798 0.332 . . . . 0.0 110.584 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.95 -3.78 84.69 Favored Glycine 0 CA--C 1.519 0.308 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.451 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 89.0 mt-30 -138.98 153.61 48.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.17 0.509 . . . . 0.0 110.443 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.2 t -101.06 126.32 54.83 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-O 121.016 0.436 . . . . 0.0 110.455 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -90.89 165.59 13.52 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.684 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 92.3 t80 -59.18 -50.33 74.43 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.227 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 76.0 mt-10 -61.16 -38.91 88.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.373 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -72.58 -37.36 68.2 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.614 179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -60.42 -50.64 72.8 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.841 -0.429 . . . . 0.0 109.841 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.7 t -57.4 -48.34 82.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.346 -178.47 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.565 ' O ' ' N ' ' A' ' 147' ' ' ALA . 77.8 mt-30 -67.38 -43.93 80.17 Favored 'General case' 0 C--O 1.224 -0.256 0 CA-C-O 120.873 0.368 . . . . 0.0 110.741 179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.441 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.6 tmm? -58.34 -37.12 74.51 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.418 -179.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 86.3 mmm -74.27 -34.91 63.71 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.126 0.489 . . . . 0.0 110.448 179.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.3 p -93.69 -3.97 51.4 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.65 -179.455 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.565 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -58.12 136.27 57.19 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.386 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 23.8 ttpp . . . . . 0 C--O 1.22 -0.484 0 CA-C-O 118.042 -0.98 . . . . 0.0 110.679 -179.937 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.362 0 N-CA-C 109.564 -1.415 . . . . 0.0 109.564 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 3.8 p 47.3 23.39 0.33 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.826 0.346 . . . . 0.0 110.621 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -136.99 130.2 31.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.521 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -160.23 14.34 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.507 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -71.34 127.89 34.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.545 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 33.9 p-80 -153.61 122.42 6.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.563 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -158.73 136.92 10.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.547 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -101.01 118.96 38.03 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.375 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.77 103.05 2.17 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 94.2 p -62.85 -33.19 74.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.859 0.361 . . . . 0.0 110.511 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.3 t -141.68 149.56 40.74 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.569 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -72.33 -7.43 67.92 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 47.71 90.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.774 0.321 . . . . 0.0 110.549 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -63.45 -39.28 94.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.594 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 70' ' ' LEU . 4.1 mm? -61.95 -43.01 99.74 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.856 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.428 ' O ' ' OG ' ' A' ' 74' ' ' SER . 90.1 t80 -65.6 -37.89 87.91 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.351 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -58.74 -44.12 90.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.529 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -65.33 -26.19 67.93 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.693 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.428 ' OG ' ' O ' ' A' ' 71' ' ' TYR . 19.1 p -59.7 -32.12 70.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.63 -179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.522 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.0 mp -61.97 -41.99 98.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.5 -179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 98.5 mtp -65.0 -4.36 4.54 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.557 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.442 ' O ' ' O ' ' A' ' 78' ' ' ASP . 20.4 ptmt -146.24 -165.95 2.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.629 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.442 ' O ' ' O ' ' A' ' 77' ' ' LYS . 97.9 m-20 55.11 111.23 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.497 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t -137.61 134.92 36.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.513 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -62.56 -50.28 71.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.648 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 33.2 t -155.58 131.35 9.86 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.492 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.407 ' HA ' HD12 ' A' ' 85' ' ' ILE . 81.9 tt0 -52.06 -36.72 51.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.541 -179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.74 -36.52 76.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.632 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.2 tt0 -65.85 -34.76 78.9 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.728 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.591 HD13 ' SD ' ' A' ' 145' ' ' MET . 71.1 mt -61.56 -48.07 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.676 -179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -61.97 -44.97 95.63 Favored 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.676 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -67.46 -40.55 85.35 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.491 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.77 -43.29 85.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.356 -179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -61.72 -46.88 87.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.547 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 79.2 ttt180 -60.57 -48.07 83.38 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.48 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.5 t -61.13 -42.31 92.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.19 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 78.5 tt0 -71.54 -22.16 61.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.335 -179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -87.87 69.53 9.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.942 0.401 . . . . 0.0 110.168 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 64.5 mttp -61.24 -41.37 96.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 40.0 p30 -79.39 -1.56 37.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.577 -179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 49.0 19.99 1.72 Allowed Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.6 p-10 -70.1 -20.3 63.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.351 . . . . 0.0 110.652 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.444 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 87.4 12.33 67.53 Favored Glycine 0 CA--C 1.521 0.444 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -137.27 145.26 43.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.368 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.4 mm -104.04 121.78 56.03 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.276 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.619 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.475 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 12.1 t -105.22 179.34 4.3 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.338 179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.475 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -54.13 -48.7 70.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.383 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.32 -46.6 69.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.143 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -71.38 -36.09 71.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.066 0.46 . . . . 0.0 110.366 179.112 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.616 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.25 -32.87 74.39 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.435 0.636 . . . . 0.0 110.655 -179.583 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 59.5 ttp180 -68.46 -38.93 81.54 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.666 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -55.88 -42.91 76.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.35 -178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.27 -47.03 95.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.624 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.584 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -65.09 -38.35 90.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.367 179.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.7 m -60.77 -42.58 97.76 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.32 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.42 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 57.4 t-20 -59.91 -35.82 75.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.311 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 85.2 mt -75.37 -4.17 37.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.53 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.28 6.77 85.86 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.2 tt0 -93.21 140.43 29.54 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 110.127 -0.323 . . . . 0.0 110.127 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -120.75 115.54 23.5 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.297 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.5 mt -117.9 161.05 20.39 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.393 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.407 ' O ' HG23 ' A' ' 121' ' ' VAL . 17.7 p -80.67 164.85 22.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.562 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.455 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 32.7 p-10 -63.59 -40.56 97.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.82 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.455 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 80.6 mm-40 -66.89 -43.16 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.759 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -62.84 -43.16 99.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.668 179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 117' ' ' THR . 53.3 t -61.84 -47.16 94.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.376 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -61.8 -43.84 98.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.062 0.458 . . . . 0.0 110.499 -179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.433 ' OE2' ' O ' ' A' ' 123' ' ' GLU . 1.9 tm-20 -67.89 -36.76 80.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.678 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -40.18 91.45 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.777 -179.397 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.453 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -62.45 -42.56 96.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.391 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -57.95 -43.15 86.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.44 -179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -65.56 -43.96 88.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.574 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.23 -25.95 55.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.667 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 52.1 t0 -70.37 97.72 1.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.49 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.5 mt -62.97 -41.87 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.18 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.416 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 16.5 m-20 -78.0 -0.41 27.68 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.313 -178.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.46 27.67 1.31 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.536 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 34.2 p-10 -83.95 1.91 41.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.75 0.31 . . . . 0.0 110.431 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.471 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 75.4 -5.48 35.75 Favored Glycine 0 CA--C 1.521 0.409 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.446 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 99.4 mm-40 -135.69 152.76 51.5 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 121.2 0.524 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 21.2 t -96.7 125.46 49.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.319 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -95.01 160.11 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 83.3 t80 -60.24 -49.04 79.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.424 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -61.9 -38.49 88.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.48 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.416 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 12.0 tt0 -71.23 -39.49 71.67 Favored 'General case' 0 N--CA 1.444 -0.73 0 CA-C-O 120.655 0.264 . . . . 0.0 110.567 179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -61.27 -47.25 86.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.41 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.5 t -59.07 -47.21 90.78 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.272 -179.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 86.0 mt-30 -66.13 -46.47 77.43 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.0 0.429 . . . . 0.0 110.572 179.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.487 ' SD ' ' O ' ' A' ' 144' ' ' MET . 12.0 tmm? -57.54 -29.06 64.06 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.847 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.591 ' SD ' HD13 ' A' ' 85' ' ' ILE . 1.6 ptt? -61.82 -28.01 69.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.919 -179.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.4 m -110.9 12.79 22.23 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.033 -0.53 . . . . 0.0 109.995 -177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -58.09 140.0 53.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.256 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 20.8 pttp . . . . . 0 C--O 1.221 -0.416 0 CA-C-O 118.012 -0.994 . . . . 0.0 110.56 179.878 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 41.1 t -70.49 141.81 51.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.869 0.366 . . . . 0.0 110.518 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -152.69 149.71 28.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.58 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -76.38 159.52 30.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.457 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 34.5 p80 -150.71 155.59 39.62 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.444 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 77.7 m80 46.65 81.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.529 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 95.8 m-70 -57.77 -41.78 82.68 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.436 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.488 ' N ' ' ND1' ' A' ' 63' ' ' HIS . 0.6 OUTLIER -152.39 165.61 34.46 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.57 179.901 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -48.49 167.86 0.15 Allowed Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 40.4 t -61.2 138.46 58.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 110.604 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 55.4 p -81.93 -112.97 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.504 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -86.74 113.57 3.94 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -66.14 -38.94 89.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.803 0.335 . . . . 0.0 110.51 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 35.2 t30 -63.37 -37.22 86.42 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.612 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 50.5 mt -61.88 -35.64 78.92 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.5 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.55 -48.71 78.57 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.38 -179.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.1 m-85 -66.12 -41.77 90.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.699 179.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 11.3 tp-100 -65.31 -35.27 80.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.447 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.435 ' O ' ' O ' ' A' ' 77' ' ' LYS . 42.1 t -60.5 -43.25 97.24 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.61 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 79.4 mt -64.56 -41.85 96.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.714 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 144' ' ' MET . 5.6 ttt -80.73 -12.42 59.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.596 -179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.435 ' O ' ' O ' ' A' ' 74' ' ' SER . 63.5 tttp -129.2 110.41 11.96 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.425 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -171.0 88.97 0.12 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.423 179.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 29.9 p -134.87 153.38 52.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.042 0.449 . . . . 0.0 110.475 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -94.03 -58.11 2.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.376 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 17.8 p -154.4 155.13 34.44 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.493 179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.521 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 55.3 mp0 -50.35 -42.83 53.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.694 -179.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 17.7 pt-20 -62.5 -38.43 89.87 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.897 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.7 mm-40 -65.17 -39.55 93.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.601 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 78.4 mt -63.33 -47.12 93.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.621 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 79.8 mtp85 -63.08 -46.42 87.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.41 -179.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 81.8 tt0 -68.34 -42.56 79.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.533 179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.98 -41.11 74.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.419 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 61.2 t80 -58.38 -46.12 86.98 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.606 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -66.28 -47.8 72.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.676 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 78.4 t -58.22 -42.97 84.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.146 -179.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -71.57 -20.08 62.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.45 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.522 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 22.9 m-20 -94.93 75.07 3.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.266 179.43 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 55.8 mtpt -59.67 -38.0 80.3 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.659 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 22.0 p-10 -80.64 0.14 35.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.72 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 60.31 33.82 82.21 Favored Glycine 0 CA--C 1.522 0.48 0 N-CA-C 110.778 -0.929 . . . . 0.0 110.778 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.717 HD22 ' N ' ' A' ' 97' ' ' ASN . 0.0 OUTLIER -92.15 120.44 32.75 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 122.556 -0.379 . . . . 0.0 110.651 -179.737 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -51.82 -0.95 0.03 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.584 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.627 ' H ' ' C ' ' A' ' 97' ' ' ASN . 81.9 m-85 -127.9 149.77 50.16 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.424 0.631 . . . . 0.0 110.2 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 95.1 mt -111.5 131.31 63.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.398 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.437 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 17.0 t -90.47 177.15 6.45 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.531 179.683 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.437 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -66.27 -46.93 75.33 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.704 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.58 -47.51 70.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.074 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -68.12 -35.95 78.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.899 0.38 . . . . 0.0 110.411 179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.488 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.8 tt -63.38 -31.44 72.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.614 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.441 ' HE ' HG21 ' A' ' 121' ' ' VAL . 41.4 ttm180 -71.21 -34.36 70.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.613 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.475 ' O ' ' ND2' ' A' ' 111' ' ' ASN . 48.7 m170 -55.36 -40.6 71.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.085 -178.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.1 t -63.92 -45.67 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.657 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.503 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -63.01 -42.24 99.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.475 -179.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 7.9 m -62.62 -40.98 98.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.266 179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.475 ' ND2' ' O ' ' A' ' 107' ' ' HIS . 76.1 m-20 -61.52 -37.46 83.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.474 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 80.6 mt -71.69 -15.88 62.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.602 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 107.16 -14.95 39.98 Favored Glycine 0 N--CA 1.463 0.495 0 N-CA-C 110.93 -0.868 . . . . 0.0 110.93 179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.492 ' OE1' ' N ' ' A' ' 114' ' ' GLU . 40.6 mp0 -84.1 132.37 34.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.924 0.393 . . . . 0.0 110.481 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.532 ' C ' HD12 ' A' ' 116' ' ' LEU . 88.5 tttt -115.05 113.58 24.24 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.047 0.451 . . . . 0.0 110.321 -179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.592 ' N ' HD12 ' A' ' 116' ' ' LEU . 10.1 mp -105.24 142.67 34.6 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.408 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.5 p -75.92 171.18 14.86 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.438 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -60.17 -41.1 92.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.751 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 82.0 tt0 -68.67 -40.28 80.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.752 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.4 mm-40 -62.93 -43.29 99.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.741 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.441 HG21 ' HE ' ' A' ' 106' ' ' ARG . 63.4 t -61.91 -46.07 97.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.489 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -61.36 -44.74 96.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.513 -179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -68.53 -38.89 81.22 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.67 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.453 ' C ' ' SD ' ' A' ' 124' ' ' MET . 1.6 tmt? -61.89 -47.81 83.32 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.941 -179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.3 mt -62.31 -45.01 99.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.571 -179.367 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -60.54 -40.17 90.54 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.692 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -70.32 -33.82 71.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.013 179.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.46 -26.18 23.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 66.0 t0 -70.05 107.47 3.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.416 -179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.8 -44.62 89.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.953 -179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 15.9 p30 -89.7 6.02 43.28 Favored 'General case' 0 CA--C 1.519 -0.239 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.685 -179.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.04 38.53 2.6 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 179.316 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.548 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 47.9 p-10 -80.41 -4.51 53.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 0.0 110.478 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 82.61 -2.49 85.6 Favored Glycine 0 CA--C 1.52 0.346 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -139.01 155.51 47.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.988 0.423 . . . . 0.0 110.517 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 94.1 t -93.66 125.31 46.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.068 0.461 . . . . 0.0 110.368 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -97.67 166.09 11.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.507 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -59.87 -51.22 70.66 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.488 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 15.6 pt-20 -58.24 -39.0 77.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.496 179.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -74.86 -34.15 62.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.463 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -61.94 -51.26 68.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.056 -179.447 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.1 t -59.09 -45.31 92.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.258 -0.428 . . . . 0.0 109.943 -179.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 147' ' ' ALA . 88.5 mt-30 -64.5 -46.89 81.01 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.806 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' MET . 66.9 ttp -63.07 -33.83 76.29 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.581 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 73.8 mmm -75.92 -38.21 57.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -102.44 13.8 33.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.626 -179.19 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.55 139.03 50.97 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.362 -179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 65.6 tttm . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.852 -1.07 . . . . 0.0 110.631 -179.56 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.581 -1.408 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.7 m -78.83 105.63 10.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.839 0.352 . . . . 0.0 110.589 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 65.6 t-80 -66.95 -39.73 87.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.562 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 85.9 t60 56.19 99.43 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.453 -179.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 98.6 m-70 -78.53 151.09 32.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.632 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.529 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 85.4 t60 -152.31 164.27 37.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.518 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 39.8 p-80 -152.2 164.37 37.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.417 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 99.2 m-70 -109.78 131.31 55.18 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.413 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.12 57.4 4.62 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 56.7 m -60.31 -42.2 95.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 110.669 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 87.9 p -74.6 158.2 34.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.421 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -119.82 -118.92 2.73 Favored Glycine 0 N--CA 1.466 0.679 0 N-CA-C 110.727 -0.949 . . . . 0.0 110.727 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 53.92 31.32 13.13 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.829 0.347 . . . . 0.0 110.607 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -64.36 -29.28 70.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.51 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.597 ' O ' HD23 ' A' ' 70' ' ' LEU . 1.0 OUTLIER -61.59 -40.14 93.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.326 -179.446 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -59.53 -49.75 76.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.293 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -65.01 -43.74 91.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.511 179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 57.9 tt0 -67.03 -33.74 76.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.424 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.6 t -59.12 -42.01 89.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.553 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 85.1 mt -61.37 -41.62 97.38 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.493 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 59.0 mtt -73.06 -8.85 57.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.833 179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.411 ' NZ ' ' OD2' ' A' ' 80' ' ' ASP . 63.0 tttm -112.63 132.02 55.35 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.391 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -134.56 -86.58 0.4 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.768 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.517 ' C ' ' H ' ' A' ' 81' ' ' SER . 19.6 p -107.98 -8.05 16.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.78 -179.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.411 ' OD2' ' NZ ' ' A' ' 77' ' ' LYS . 33.8 m-20 56.59 3.31 0.11 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.597 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.517 ' H ' ' C ' ' A' ' 79' ' ' THR . 3.9 t -73.48 102.14 3.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.297 -0.41 . . . . 0.0 109.937 179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.657 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 1.2 pm0 -49.94 -45.21 51.03 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.595 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -61.03 -36.82 80.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.743 0.306 . . . . 0.0 110.619 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.437 ' OE1' ' OG1' ' A' ' 79' ' ' THR . 75.3 tt0 -64.52 -33.18 75.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.544 -179.504 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 67.0 mt -61.61 -48.39 88.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.613 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -65.95 -46.55 77.76 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.633 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.47 -47.55 69.76 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.707 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 84' ' ' GLU . . . -56.3 -40.99 75.22 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.021 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CD1' HD11 ' A' ' 100' ' ' ILE . 71.6 t80 -58.67 -47.13 85.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.35 179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -64.42 -48.38 75.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.77 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 88.0 t -61.81 -36.46 73.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.244 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -70.92 -23.68 62.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.27 -179.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.484 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 15.0 m-20 -97.64 79.47 2.72 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.819 0.342 . . . . 0.0 110.557 179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -58.01 -36.74 73.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.505 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.475 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 26.2 p-10 -77.85 3.21 14.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.307 -179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 54.8 43.47 80.75 Favored Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 179.232 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.828 ' H ' HD22 ' A' ' 97' ' ' ASN . 0.0 OUTLIER -108.29 128.94 55.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.357 0.598 . . . . 0.0 110.29 -179.545 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -59.36 20.81 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.68 ' H ' ' C ' ' A' ' 97' ' ' ASN . 86.0 m-85 -142.72 144.44 32.68 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.062 0.458 . . . . 0.0 110.231 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 89' ' ' PHE . 93.1 mt -111.5 130.5 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.457 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 13.5 m -101.27 176.66 5.17 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.488 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.63 -41.7 98.23 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.629 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.51 -45.61 66.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.262 -0.426 . . . . 0.0 109.954 -179.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -68.61 -35.64 77.59 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.938 0.399 . . . . 0.0 110.255 178.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 3.0 tp -60.16 -30.35 69.27 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.601 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.5 mtp85 -68.87 -37.13 78.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.852 179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 41.0 m170 -56.36 -43.0 78.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.153 -179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 83.6 t -61.08 -46.76 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.376 179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.514 ' N ' ' SD ' ' A' ' 109' ' ' MET . 1.0 OUTLIER -65.21 -38.23 89.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.333 179.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.2 m -58.13 -39.95 80.05 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.217 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -57.33 -38.38 73.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.197 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.467 ' N ' ' CD2' ' A' ' 112' ' ' LEU . 4.1 mm? -74.67 -6.08 46.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.708 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 82.5 0.24 89.76 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -77.49 131.85 38.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.667 0.27 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -112.15 109.78 19.69 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.497 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 31.1 mt -112.17 149.88 31.6 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.206 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 69.8 p -76.47 169.94 17.32 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.435 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -63.06 -40.33 97.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.807 -179.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -65.25 -36.52 84.37 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.593 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -65.25 -40.85 94.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.692 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.0 t -59.81 -44.05 93.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.401 -179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -59.14 -44.22 92.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.533 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -62.33 -41.64 98.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.549 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 57.4 mmm -61.79 -44.97 95.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.627 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.449 ' O ' ' N ' ' A' ' 129' ' ' ASP . 3.6 mm -63.03 -51.9 65.93 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.327 0 C-N-CA 120.719 -0.392 . . . . 0.0 111.062 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 -58.53 -44.18 89.5 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.747 -178.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -65.33 -34.8 79.19 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.871 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.4 -27.05 24.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.971 -179.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.534 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 46.8 t0 -63.23 110.23 1.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.03 0.443 . . . . 0.0 110.458 -179.422 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.3 mm -69.03 -43.79 81.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.013 -179.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.3 p30 -98.55 13.28 32.44 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.836 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.12 36.86 2.92 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.534 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 24.6 p-10 -79.1 -5.86 55.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.809 0.338 . . . . 0.0 110.711 -179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.65 -3.64 81.55 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -151.36 169.17 22.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.44 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.6 t -102.25 122.38 54.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.473 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 7.4 m120 -91.5 164.02 13.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.417 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -59.85 -48.27 82.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.468 -179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -58.26 -41.33 84.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.419 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -75.13 -30.59 60.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.443 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.9 -49.23 78.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.223 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 66.4 t -57.99 -45.68 87.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.0 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 147' ' ' ALA . 82.1 mt-30 -63.48 -47.81 80.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.479 179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 59.6 ttp -60.51 -31.43 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.355 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 96.6 mmm -87.41 -30.76 20.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.005 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.4 m -101.48 12.32 37.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.547 -179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -58.82 142.43 50.39 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.346 -179.638 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 88.9 tttt . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.112 -0.946 . . . . 0.0 110.567 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 68.3 m -63.13 -177.07 0.15 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.822 0.344 . . . . 0.0 110.573 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.8 t-80 -57.99 -43.45 86.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.526 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.627 ' CD2' ' H ' ' A' ' 59' ' ' HIS . 7.3 p80 -84.25 134.45 34.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.605 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 43.1 p-80 -150.01 162.43 40.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.622 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -169.36 55.47 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.547 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -77.54 -104.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.696 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -65.37 -38.67 90.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.55 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 164.35 -147.33 12.58 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.929 -0.869 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 28.4 p -155.39 161.9 40.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.916 0.388 . . . . 0.0 110.54 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 29.9 t -110.65 139.44 45.92 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.583 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -58.95 123.59 33.99 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -86.86 59.36 5.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.859 0.361 . . . . 0.0 110.501 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 77.4 m-20 -63.43 -37.59 87.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.536 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.3 mp -61.65 -37.9 85.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.442 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -57.45 -42.12 81.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.437 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -59.59 -43.91 93.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.521 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.1 mm-40 -64.21 -28.51 69.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.622 -179.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.466 ' O ' ' O ' ' A' ' 77' ' ' LYS . 15.5 m -59.96 -37.82 80.7 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.416 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.28 -39.56 94.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.594 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 18.9 ttt -78.03 -11.2 59.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.741 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' A' ' 74' ' ' SER . 87.0 tttt -142.94 114.52 8.02 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.66 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.526 ' H ' ' CE ' ' A' ' 145' ' ' MET . 71.2 m-20 -123.93 -177.58 3.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.477 179.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.5 t -150.94 163.63 38.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.669 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 61.8 t0 58.03 38.74 26.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.65 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 m -158.5 13.73 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.511 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -48.78 -38.06 20.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.417 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -68.96 -39.57 79.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.893 0.378 . . . . 0.0 110.838 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.07 -37.69 88.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.674 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.669 HD13 ' HG2' ' A' ' 145' ' ' MET . 81.2 mt -61.63 -44.55 98.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.485 -179.247 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttm-85 -60.36 -45.62 92.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.359 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -69.37 -37.9 77.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.925 0.393 . . . . 0.0 110.557 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.43 -41.9 81.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.512 -179.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -56.53 -45.73 80.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.318 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 57.4 ttm-85 -65.01 -45.34 85.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.505 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 92.8 t -61.35 -40.68 87.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.502 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.436 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 73.2 mm-40 -70.11 -25.46 63.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.614 -179.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.544 ' OD1' ' ND2' ' A' ' 97' ' ' ASN . 51.7 t0 -89.28 66.17 7.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.571 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.53 -41.06 96.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.788 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.409 ' OD1' ' OD1' ' A' ' 93' ' ' ASP . 36.4 p30 -78.75 -3.41 44.19 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.69 -178.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.1 21.3 45.75 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.749 HD22 ' N ' ' A' ' 98' ' ' GLY . 0.0 OUTLIER -67.32 -18.1 65.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.55 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.749 ' N ' HD22 ' A' ' 97' ' ' ASN . . . 85.59 2.6 86.95 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.937 -0.865 . . . . 0.0 110.937 -179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.633 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 85.7 m-85 -130.36 156.8 44.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.848 0.356 . . . . 0.0 110.42 179.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.4 mm -107.13 119.31 56.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.685 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.9 p -98.36 -179.57 4.4 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.605 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.81 -44.73 93.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.59 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.483 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . . . -53.78 -44.83 70.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.308 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.436 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 31.2 mt-10 -72.06 -36.18 69.52 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.518 179.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 4.4 tp -63.84 -31.92 73.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.033 0.444 . . . . 0.0 110.795 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 103' ' ' ALA . 86.3 mtm180 -71.29 -35.95 71.49 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.276 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.48 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 24.7 m170 -55.53 -40.29 71.64 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.445 -179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -63.93 -45.34 97.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.587 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 15.8 mmt -63.59 -38.53 91.48 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.638 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 43.9 p -63.59 -32.53 74.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.557 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -64.19 -40.73 96.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.463 179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.417 ' N ' HD12 ' A' ' 112' ' ' LEU . 10.9 mp -71.85 -28.22 63.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.499 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.17 -10.64 43.74 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 82.9 tt0 -70.58 138.61 51.02 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.901 0.381 . . . . 0.0 110.492 179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt -120.79 112.76 19.23 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.62 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 64.4 mt -114.06 157.26 22.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.416 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 7.1 p -77.01 168.12 20.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.529 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.96 -39.62 95.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.713 -179.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 56.1 mp0 -66.39 -36.21 82.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.643 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -64.72 -37.1 86.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.583 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 65.0 t -61.22 -45.53 98.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.463 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 59.7 t0 -59.17 -48.77 80.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.679 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -58.82 -41.77 87.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.64 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 82.6 mtp -62.41 -42.71 99.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.469 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.6 mt -68.42 -44.75 83.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.805 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 59.8 ttp180 -63.29 -48.64 77.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.205 -178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -67.8 -33.84 75.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.827 -178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -81.78 -28.42 33.23 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.624 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.604 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 68.3 t0 -69.92 111.68 5.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.423 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 82.3 mt -68.3 -44.53 83.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.155 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 34.7 p30 -92.13 9.74 32.27 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.856 -178.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.29 37.01 1.51 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 179.03 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.604 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 51.5 p-10 -82.89 -1.48 52.26 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.785 0.326 . . . . 0.0 110.496 179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 74.9 -9.77 10.73 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 23.4 mm100 -131.92 144.85 51.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.966 0.412 . . . . 0.0 110.474 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 3.1 t -100.7 120.47 50.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.522 -179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.662 ' H ' ' ND2' ' A' ' 137' ' ' ASN . 0.2 OUTLIER -95.32 172.13 8.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.57 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -63.22 -42.61 99.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.675 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -63.57 -45.25 91.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.701 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -75.25 -35.99 61.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.614 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -61.2 -49.93 75.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.711 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 78.9 t -61.24 -47.81 91.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.391 -179.311 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 89.3 mt-30 -67.63 -48.97 65.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.899 -179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 51.7 ttp -57.99 -30.51 66.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.282 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.669 ' HG2' HD13 ' A' ' 85' ' ' ILE . 2.9 tpt -66.57 -46.39 76.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.772 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.1 m -97.14 7.22 47.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.665 -179.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -68.89 142.77 54.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.584 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 61.7 pttt . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.598 179.897 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.303 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 10.7 t 52.51 67.93 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.876 0.369 . . . . 0.0 110.526 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 -80.09 130.8 35.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.465 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.51 ' ND1' ' N ' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -148.91 58.23 1.04 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.552 179.871 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 59.7 m170 -82.49 -65.1 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.686 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -95.31 -0.82 52.43 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.492 -179.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.52 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 66.6 m80 -67.51 120.29 13.71 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.448 -179.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 62' ' ' HIS . 96.8 m-70 -157.94 17.34 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.592 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.22 3.68 87.05 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 37.3 t 53.08 77.19 0.17 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.748 0.309 . . . . 0.0 110.516 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.3 t -71.76 146.34 48.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.601 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.81 152.99 14.97 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 75.4 mt-10 -85.45 -17.7 35.76 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.732 0.301 . . . . 0.0 110.474 179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.94 -38.25 90.39 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.019 0.438 . . . . 0.0 110.487 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.529 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -62.6 -35.09 78.43 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.776 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -57.73 -48.35 79.85 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.378 -179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -65.17 -40.91 94.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.615 179.696 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -68.28 -27.77 66.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.624 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.5 m -56.87 -31.83 65.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.578 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 55.8 mt -61.12 -41.55 96.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.446 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 56.9 mmm -68.78 -7.34 33.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.708 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.6 mttt -105.72 -165.51 1.12 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.278 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 72.07 118.48 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.434 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.7 t -150.03 145.72 26.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.459 179.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -97.49 -64.36 1.05 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.43 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 27.5 t -152.85 137.68 17.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.892 0.377 . . . . 0.0 110.286 179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.409 ' C ' ' OE1' ' A' ' 82' ' ' GLU . 0.8 OUTLIER -53.79 -39.93 65.87 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.418 -179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -66.7 -44.3 82.08 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 74.5 mm-40 -61.96 -38.93 90.34 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.671 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.98 -43.61 97.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.41 179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.62 -44.79 95.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.313 -179.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -67.61 -39.72 84.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.658 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.62 -38.84 75.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.392 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.456 ' CD2' ' CE2' ' A' ' 138' ' ' TYR . 76.8 t80 -60.78 -47.6 85.59 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.599 179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 72.8 ttp85 -64.42 -46.55 82.72 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.49 -179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 89.5 t -60.0 -42.21 88.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.215 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 34.2 tp10 -71.48 -18.41 62.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.335 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 51.6 t0 -91.16 78.35 5.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.379 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -60.15 -38.95 84.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.521 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.442 ' C ' ' N ' ' A' ' 97' ' ' ASN . 11.5 m-20 -78.18 -2.77 39.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.193 -179.278 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 44.53 19.96 0.18 Allowed Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.901 -0.879 . . . . 0.0 110.901 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.442 ' N ' ' C ' ' A' ' 95' ' ' ASP . 43.0 p30 -74.6 -15.13 60.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.814 0.34 . . . . 0.0 110.493 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.76 16.2 58.6 Favored Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -138.32 143.43 39.93 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.781 0.324 . . . . 0.0 110.425 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 18.6 mm -105.25 115.22 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.232 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 60.4 m -98.43 179.99 4.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.402 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.25 -47.02 79.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.616 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.23 -45.9 68.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.202 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -69.87 -35.21 74.49 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.033 0.444 . . . . 0.0 110.053 179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.593 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -63.66 -30.97 72.01 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.216 0.532 . . . . 0.0 110.546 -179.64 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -64.39 -38.22 90.28 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.387 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -55.41 -42.34 73.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.156 -179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 73.1 t -62.09 -45.77 97.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.443 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 20.3 mtm -63.23 -41.05 99.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.69 -179.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.2 p -62.66 -37.22 85.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.393 -179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.405 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 56.2 t-20 -64.53 -38.72 91.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.386 179.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 47.0 mt -71.61 -26.13 62.45 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.71 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.03 -9.73 70.19 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 110.854 -0.899 . . . . 0.0 110.854 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -73.86 141.96 46.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.691 0.282 . . . . 0.0 110.429 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 17.9 mtpp -110.21 106.94 16.55 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.77 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.0 mp -114.63 153.72 29.66 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.453 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.2 p -81.03 167.25 19.99 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.556 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -62.32 -38.07 88.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.604 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 83.7 tt0 -65.01 -39.1 92.94 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.371 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -63.44 -39.17 93.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.571 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.4 t -63.84 -44.73 98.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.527 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -59.21 -44.23 92.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.015 0.436 . . . . 0.0 110.421 -179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.419 ' HA ' ' HE ' ' A' ' 126' ' ' ARG . 81.9 tt0 -64.23 -38.64 91.76 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.486 179.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 33.2 ttm -61.42 -45.91 92.31 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.505 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.462 HD11 ' HG ' ' A' ' 105' ' ' LEU . 40.3 mm -63.7 -45.77 96.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 120.779 -0.368 . . . . 0.0 110.791 -179.457 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.419 ' HE ' ' HA ' ' A' ' 123' ' ' GLU . 88.8 mtm180 -59.0 -43.51 91.51 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.867 -179.488 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.2 mt-10 -63.72 -35.35 80.27 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.746 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -86.28 -22.45 26.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.69 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 42.9 t0 -71.93 104.55 3.54 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.279 -179.48 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 32.4 mm -68.08 -43.73 85.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.848 -179.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' A' ' 131' ' ' ASP . 17.6 p-10 -92.63 9.62 33.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.899 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.73 41.05 4.2 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.692 -0.963 . . . . 0.0 110.692 179.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.53 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 35.4 p-10 -84.46 -1.4 55.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.728 0.299 . . . . 0.0 110.55 -179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.447 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 80.67 -5.2 65.68 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 179.879 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 87.9 mt-30 -138.97 155.13 48.26 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-O 120.885 0.374 . . . . 0.0 110.378 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 18.9 t -92.7 129.1 43.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.379 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -97.33 158.49 15.44 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.395 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.456 ' CE2' ' CD2' ' A' ' 89' ' ' PHE . 1.4 t80 -57.12 -53.04 62.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.522 -179.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 139' ' ' GLU . 54.6 mp0 -58.03 -36.46 72.75 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.197 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -73.61 -36.52 65.51 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.619 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.97 -50.02 75.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.524 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.8 t -58.42 -45.73 89.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.142 -179.364 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.493 ' O ' ' N ' ' A' ' 147' ' ' ALA . 57.7 tt0 -65.14 -45.2 85.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.862 0.363 . . . . 0.0 110.29 179.602 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.46 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.5 tmm? -58.31 -32.26 68.3 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.272 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 83.4 mmm -88.25 -30.86 19.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.684 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m -99.96 12.78 35.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.928 0.394 . . . . 0.0 110.56 -179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.493 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -60.31 142.91 54.06 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.455 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt . . . . . 0 C--O 1.219 -0.543 0 CA-C-O 117.97 -1.014 . . . . 0.0 110.636 -179.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.346 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 78.0 p -63.52 -35.12 79.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.899 0.38 . . . . 0.0 110.614 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 82.8 t60 49.24 70.43 0.48 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.537 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.525 ' O ' ' N ' ' A' ' 61' ' ' HIS . 77.8 m80 -66.43 -41.31 89.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.61 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.62 ' CE1' ' NE2' ' A' ' 61' ' ' HIS . 22.8 t-160 54.25 -83.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.434 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.62 ' NE2' ' CE1' ' A' ' 60' ' ' HIS . 99.3 m-70 -82.58 133.71 35.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.488 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 44.2 t-80 -155.85 -78.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.633 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 64.2 t-80 -80.09 127.95 32.91 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.55 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.93 -105.89 0.21 Allowed Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.4 p -155.93 162.9 40.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.894 0.378 . . . . 0.0 110.569 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 80.3 p -158.68 42.89 0.26 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -164.0 170.12 39.15 Favored Glycine 0 CA--C 1.521 0.426 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -139.1 -95.67 0.17 Allowed 'General case' 0 C--N 1.332 -0.196 0 O-C-N 122.7 -0.294 . . . . 0.0 110.611 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -63.27 -39.94 95.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.6 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 2.3 pp -63.28 -32.43 73.83 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.219 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 64.6 t80 -59.21 -46.9 87.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.334 -179.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -63.47 -40.17 96.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.63 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -63.55 -28.18 69.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.427 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.7 t -58.77 -36.14 73.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.439 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 54.6 mt -62.46 -41.15 98.56 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.5 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.404 ' O ' ' O ' ' A' ' 145' ' ' MET . 31.0 mmm -70.41 -1.79 11.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.525 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -82.19 145.11 30.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.707 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 52.5 p-10 -98.76 -160.38 0.8 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.015 0.436 . . . . 0.0 110.536 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.1 p -132.18 164.49 26.21 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.561 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -62.23 -44.56 96.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.647 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.7 m -83.01 89.69 6.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.634 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 14.7 tm-20 -61.49 -32.42 72.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.423 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -59.24 -34.88 72.75 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.546 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.88 -34.13 77.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.84 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.522 HG23 ' SD ' ' A' ' 145' ' ' MET . 95.3 mt -62.28 -42.87 97.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.545 -179.677 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -56.93 -44.19 82.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.437 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -67.39 -36.38 81.19 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.542 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.91 -44.17 86.63 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.615 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.6 t80 -60.87 -44.69 96.69 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.496 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -58.73 -45.58 89.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.502 -179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.63 -41.25 90.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.296 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -72.14 -28.15 63.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.449 -179.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 39.0 t0 -86.23 75.93 9.79 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.511 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.5 -41.42 94.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.481 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.506 ' O ' ' N ' ' A' ' 97' ' ' ASN . 12.2 m-20 -78.79 -1.84 36.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.3 -179.417 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 42.81 19.84 0.07 OUTLIER Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 179.605 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.506 ' N ' ' O ' ' A' ' 95' ' ' ASP . 30.5 p-10 -75.09 -9.85 58.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 0.0 110.499 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.87 11.8 64.92 Favored Glycine 0 CA--C 1.52 0.397 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -134.26 142.76 47.44 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-O 120.987 0.423 . . . . 0.0 110.609 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 78.7 mt -104.99 116.31 48.56 Favored 'Isoleucine or valine' 0 C--O 1.232 0.176 0 CA-C-O 121.056 0.455 . . . . 0.0 110.15 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 58.6 m -93.66 179.85 5.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.687 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.83 -45.24 95.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.439 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.14 -48.37 70.88 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.223 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -68.07 -35.89 78.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.278 179.381 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 14.9 tp -66.39 -29.49 69.67 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.043 0.449 . . . . 0.0 110.605 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -69.67 -42.36 74.26 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.902 -179.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.411 ' O ' ' OG1' ' A' ' 110' ' ' THR . 70.4 m-70 -56.0 -41.87 75.52 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.193 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.4 t -62.58 -45.53 98.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.591 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 62.1 mtt -63.93 -40.57 96.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.565 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 25.8 p -62.09 -40.73 96.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.478 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 34.9 t30 -63.19 -39.11 93.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.495 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 93.5 mt -76.07 -9.32 58.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.506 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 93.45 -16.35 60.86 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -69.92 125.29 26.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.934 0.397 . . . . 0.0 110.488 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -121.71 112.97 19.06 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-O 120.98 0.419 . . . . 0.0 110.408 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 61.0 mt -114.18 162.97 15.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.458 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.465 HG22 ' N ' ' A' ' 118' ' ' ASP . 7.0 m -76.41 164.06 26.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.372 -179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.465 ' N ' HG22 ' A' ' 117' ' ' THR . 53.7 t0 -62.07 -39.79 93.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.788 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -67.87 -36.51 80.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.793 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 70.1 mm-40 -65.11 -42.45 93.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.689 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 63.0 t -60.63 -45.84 96.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.535 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 43.1 t0 -58.99 -43.98 91.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.513 -179.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -67.79 -38.42 83.32 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.627 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 66.1 mmm -62.29 -42.58 99.47 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.719 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.8 mt -62.86 -45.38 99.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.601 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 78.8 mmt-85 -62.19 -43.6 98.46 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.729 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -68.31 -40.47 81.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.875 179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.67 -27.07 45.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.795 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 39.9 t0 -70.47 106.12 3.32 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.574 -179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 65.7 mt -68.06 -41.83 84.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.803 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.412 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 17.1 m-20 -79.81 1.96 24.88 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.546 -179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.62 25.52 0.32 Allowed Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.532 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 33.8 p-10 -82.32 -1.31 49.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.801 0.334 . . . . 0.0 110.597 -179.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 81.93 -2.37 83.86 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.439 ' O ' ' OD1' ' A' ' 133' ' ' ASP . 94.2 mt-30 -140.86 158.66 43.63 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.018 0.437 . . . . 0.0 110.491 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.84 127.98 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.169 0 CA-C-O 121.082 0.467 . . . . 0.0 110.375 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 -93.16 170.27 9.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.586 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 88.2 t80 -60.43 -50.67 72.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.437 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.32 -39.0 91.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.623 179.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.412 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 5.6 tt0 -69.12 -38.48 78.89 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.65 179.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 87.2 t80 -59.8 -47.43 85.75 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.989 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 77.7 t -57.57 -47.31 85.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.716 -0.394 . . . . 0.0 110.39 -178.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.571 ' O ' ' N ' ' A' ' 147' ' ' ALA . 96.5 mt-30 -66.75 -43.81 83.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 179.224 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 83.5 mtp -59.65 -36.84 77.19 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.68 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.522 ' SD ' HG23 ' A' ' 85' ' ' ILE . 2.6 ttt -77.09 -28.64 54.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.778 179.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 p -97.86 -8.82 27.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.654 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -64.97 140.22 58.84 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.069 0.462 . . . . 0.0 110.321 -179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 98.2 mttt . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.065 -0.969 . . . . 0.0 110.591 179.905 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.31 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -81.77 -4.65 56.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.721 0.296 . . . . 0.0 110.527 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.455 ' O ' ' NE2' ' A' ' 61' ' ' HIS . 78.0 m80 -68.96 138.06 54.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.27 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 93.3 m-70 -113.67 -151.89 0.49 Allowed 'General case' 0 N--CA 1.465 0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.342 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 80.5 m80 44.91 42.78 6.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.525 -179.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.455 ' NE2' ' O ' ' A' ' 58' ' ' HIS . 32.6 m170 -66.84 -42.3 86.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.571 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -88.99 125.74 35.11 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.421 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -91.91 110.8 22.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.335 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -85.21 -109.83 0.69 Allowed Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 5.8 t 56.14 56.7 5.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.959 0.409 . . . . 0.0 110.527 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 69.4 m -88.46 2.9 51.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.448 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 90.2 18.69 48.99 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -71.93 152.98 42.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.867 0.365 . . . . 0.0 110.597 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -63.51 -33.28 75.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.616 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.558 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.0 mp -59.76 -18.34 42.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.384 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -58.77 -46.73 86.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.447 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -63.55 -39.31 94.07 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.554 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mt-30 -63.55 -25.37 68.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.553 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 50.4 p -57.8 -31.91 67.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.464 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.537 HD22 ' N ' ' A' ' 75' ' ' LEU . 4.0 mm? -63.1 -42.05 99.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.775 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 74.3 mtp -72.76 4.12 4.4 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.483 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.462 ' NZ ' ' O ' ' A' ' 148' ' ' LYS . 68.6 mttm -116.05 -165.09 1.01 Allowed 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.211 -179.756 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 12.1 t70 73.78 77.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.798 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.3 t -150.03 146.67 27.11 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.561 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.4 p-10 -157.57 25.41 0.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.9 t -156.39 81.38 0.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.51 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -55.41 -33.08 63.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.556 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 83.8 tt0 -64.99 -38.16 90.03 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.692 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.0 tt0 -64.45 -33.1 75.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.439 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.4 mm -62.82 -44.46 99.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.441 -179.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -63.94 -46.83 82.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.588 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -67.41 -43.12 82.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.62 179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.23 -39.92 80.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.306 -179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -60.16 -46.3 90.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.388 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 68.1 mtp180 -62.73 -45.75 91.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.57 179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 97.4 t -66.34 -39.2 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.331 179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -71.01 -25.06 62.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.224 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.512 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 28.6 t0 -85.24 85.6 7.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.902 0.382 . . . . 0.0 110.56 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -60.83 -43.51 98.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.743 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.484 ' O ' ' N ' ' A' ' 97' ' ' ASN . 18.7 m-20 -79.57 -1.09 36.31 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.206 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 43.04 20.25 0.08 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.484 ' N ' ' O ' ' A' ' 95' ' ' ASP . 39.0 p-10 -78.12 -4.03 45.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.807 0.337 . . . . 0.0 110.508 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.512 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 83.89 15.49 70.05 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -139.98 146.46 39.15 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.61 0.243 . . . . 0.0 110.377 179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 31.3 mm -109.47 121.48 62.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.283 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.269 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 71.2 m -99.48 179.73 4.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.401 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -57.45 -46.75 83.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.363 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.66 -49.04 66.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.097 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -67.7 -37.72 82.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.073 0.463 . . . . 0.0 110.253 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -65.59 -30.39 71.11 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.818 0.818 . . . . 0.0 110.357 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 110' ' ' THR . 61.7 ttp180 -73.39 -45.02 57.25 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.361 -0.536 . . . . 0.0 110.551 -179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 70.1 m-70 -61.66 -45.07 95.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.239 0.542 . . . . 0.0 110.942 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.503 HG13 ' N ' ' A' ' 109' ' ' MET . 5.8 p -69.86 -43.21 79.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.819 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.554 ' SD ' HD12 ' A' ' 116' ' ' LEU . 20.6 ttm -69.83 -48.14 60.11 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.307 -178.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 106' ' ' ARG . 5.4 t -62.51 -32.05 72.91 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.566 -179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -62.89 -28.72 70.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.116 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 11.0 mt -78.35 -3.69 44.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.688 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 88.97 52.44 2.77 Favored Glycine 0 CA--C 1.521 0.431 0 N-CA-C 111.228 -0.749 . . . . 0.0 111.228 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -141.66 126.75 18.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.783 0.325 . . . . 0.0 110.42 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 87.5 mttt -109.69 106.08 15.59 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.26 179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.554 HD12 ' SD ' ' A' ' 109' ' ' MET . 47.0 mt -118.22 159.12 23.87 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.287 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.433 ' OG1' ' OE2' ' A' ' 120' ' ' GLU . 7.3 p -82.12 168.26 17.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.441 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 40.3 p-10 -63.8 -38.98 93.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.733 -179.746 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.506 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 96.5 mt-10 -67.07 -37.92 84.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.62 179.808 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.527 ' OE1' ' N ' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -64.91 -43.7 91.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.567 -179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 95.1 t -62.69 -44.92 99.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.449 -179.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 48.5 t0 -60.33 -45.72 92.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.546 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 41.4 tp10 -66.75 -39.94 88.1 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 4.9 ttt -60.91 -46.81 89.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.68 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.07 -43.59 97.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.452 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 60.7 ttt85 -61.75 -44.66 96.47 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.449 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 74.8 mm-40 -71.25 -36.37 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.662 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -71.69 -30.21 65.43 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.76 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 131' ' ' ASP . 67.8 t0 -76.32 128.92 35.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.673 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.4 ' N ' ' OD1' ' A' ' 129' ' ' ASP . 35.6 mm -66.84 -44.69 88.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.108 -179.495 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.44 ' OD2' ' OE2' ' A' ' 140' ' ' GLU . 17.6 p30 -90.0 13.27 15.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.82 43.23 4.11 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.422 ' OD2' ' CG ' ' A' ' 131' ' ' ASP . 94.4 m-20 -84.15 -3.6 58.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.699 0.285 . . . . 0.0 110.405 -179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 77.08 -4.9 52.76 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.65 -0.98 . . . . 0.0 110.65 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -135.15 148.9 49.87 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 120.809 0.338 . . . . 0.0 110.095 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 48.9 t -108.09 121.62 61.33 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.214 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.361 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 137' ' ' ASN . 4.8 p-10 -96.97 -175.92 3.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.365 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.1 t80 -61.2 -46.62 89.73 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.724 -179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -61.23 -42.93 99.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.81 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.44 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 93.9 mt-10 -73.09 -38.19 66.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.49 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.612 ' CZ ' ' SD ' ' A' ' 145' ' ' MET . 79.6 t80 -61.18 -52.12 66.16 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.442 -179.686 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 69.0 t -58.46 -47.1 89.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.252 -179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.522 ' O ' ' N ' ' A' ' 147' ' ' ALA . 22.3 mm100 -66.16 -44.16 84.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.805 179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 144' ' ' MET . 13.2 tmm? -56.81 -34.93 68.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.426 -179.063 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.612 ' SD ' ' CZ ' ' A' ' 141' ' ' PHE . 32.7 mtt -92.53 -32.57 14.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.722 179.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.6 m -94.75 12.51 27.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.0 110.431 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -60.44 144.68 50.55 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.288 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.462 ' O ' ' NZ ' ' A' ' 77' ' ' LYS . 64.3 tttm . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.882 -1.056 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 86.3 p -87.97 113.21 23.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.793 0.33 . . . . 0.0 110.463 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 72.5 m80 41.07 86.5 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.621 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.1 p80 -139.9 39.57 1.98 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.498 -179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -148.04 0.91 0.64 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.52 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.52 ' O ' ' CE1' ' A' ' 63' ' ' HIS . 70.9 m80 41.0 46.24 2.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.691 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 56.23 80.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.562 -179.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' CE1' ' O ' ' A' ' 61' ' ' HIS . 71.6 m80 -153.15 132.09 12.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.536 179.732 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 56.99 -131.6 52.11 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 23.1 m -72.64 145.24 47.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.785 0.326 . . . . 0.0 110.504 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 72.7 m -60.47 -41.97 95.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.558 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -156.96 -83.17 0.04 OUTLIER Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.552 ' OE1' ' N ' ' A' ' 68' ' ' GLU . 55.0 mp0 -138.61 155.41 48.35 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.856 0.36 . . . . 0.0 110.429 -179.736 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 -64.01 -36.48 84.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.6 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.517 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -62.65 -35.05 78.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.825 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 91.3 t80 -56.85 -45.51 82.37 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.379 -179.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -61.42 -43.47 98.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.647 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 59.1 tt0 -64.83 -25.53 67.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.556 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.3 t -58.84 -32.26 69.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.625 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.549 HD22 ' N ' ' A' ' 75' ' ' LEU . 4.0 mm? -62.6 -36.43 82.7 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.719 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 65.8 mtt -63.15 -5.18 2.92 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.398 -179.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.423 ' O ' ' OD1' ' A' ' 78' ' ' ASP . 64.0 tttp -69.75 111.01 5.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.471 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 61.9 m-20 -161.65 100.42 1.16 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.473 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.3 t -152.11 157.6 41.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.571 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 81' ' ' SER . 2.3 p30 -165.84 -37.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.616 179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.53 ' N ' ' OD1' ' A' ' 80' ' ' ASP . 0.0 OUTLIER -163.54 124.18 2.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.513 179.686 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -50.72 -44.51 58.2 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.595 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.438 ' O ' ' OE2' ' A' ' 87' ' ' GLU . 96.3 mt-10 -63.37 -41.82 98.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.763 179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 66.6 mm-40 -62.51 -38.6 90.55 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.737 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.584 HG23 ' SD ' ' A' ' 145' ' ' MET . 95.1 mt -64.36 -44.87 97.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.527 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 78.1 mtp85 -58.51 -44.73 89.59 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.341 -179.425 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.529 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 0.5 OUTLIER -67.7 -37.14 81.89 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.648 179.466 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.27 -44.73 88.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.556 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -57.37 -45.03 84.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.365 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.47 -44.83 96.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.902 0.382 . . . . 0.0 110.611 -179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.9 t -61.37 -40.64 86.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.509 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.402 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 96.6 mt-10 -70.48 -24.96 62.95 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.462 -179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.514 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 39.4 t0 -90.24 69.82 7.14 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.362 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.404 ' HG3' ' N ' ' A' ' 95' ' ' ASP . 59.6 pttt -62.27 -42.09 99.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.975 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.404 ' N ' ' HG3' ' A' ' 94' ' ' LYS . 37.8 p-10 -79.79 -2.44 43.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.471 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 58.41 20.77 46.26 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 52.5 p-10 -68.74 -25.04 64.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.838 0.351 . . . . 0.0 110.553 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.527 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 87.85 20.5 50.2 Favored Glycine 0 CA--C 1.522 0.475 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.511 ' C ' HD12 ' A' ' 100' ' ' ILE . 58.8 m-85 -145.92 149.55 34.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.016 0.436 . . . . 0.0 110.347 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.598 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.7 mp -101.9 115.81 44.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.23 179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.459 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 15.3 t -96.52 179.99 4.81 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.716 179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.459 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -57.71 -48.36 79.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.515 -179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.437 ' O ' ' CD2' ' A' ' 107' ' ' HIS . . . -54.93 -46.08 74.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.271 -179.825 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.402 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 45.3 mt-10 -71.51 -38.62 71.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.596 179.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 56.2 tp -64.04 -31.81 73.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.805 179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.9 ttt-85 -69.79 -38.86 76.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.609 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.437 ' CD2' ' O ' ' A' ' 103' ' ' ALA . 17.5 m170 -56.16 -43.16 78.05 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.328 -179.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 78.0 t -62.98 -47.81 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.578 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 52.3 mtt -65.89 -40.49 91.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.38 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.3 m -63.25 -42.14 99.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.41 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.41 -36.12 77.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.439 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.1 mt -72.09 -11.68 60.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.673 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 99.79 -21.43 45.01 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -68.47 132.03 46.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.765 0.317 . . . . 0.0 110.445 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.431 ' C ' HD12 ' A' ' 116' ' ' LEU . 34.8 pttt -113.52 110.83 20.91 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.093 0.473 . . . . 0.0 110.346 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.541 ' N ' HD12 ' A' ' 116' ' ' LEU . 8.8 mp -107.07 146.48 31.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.587 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.426 ' O ' HG23 ' A' ' 121' ' ' VAL . 20.0 p -75.04 166.13 24.16 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.392 -179.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.517 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 38.7 p-10 -64.26 -38.79 92.29 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.768 -178.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.517 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 97.3 mt-10 -68.36 -39.13 81.93 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.787 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -65.07 -38.84 92.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.597 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 117' ' ' THR . 67.4 t -62.91 -46.02 97.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.377 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -60.45 -45.02 95.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.61 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -68.49 -38.75 81.27 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.637 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.443 ' C ' ' SD ' ' A' ' 124' ' ' MET . 2.0 tmt? -61.35 -45.07 95.94 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.821 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.451 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.6 mt -62.86 -44.47 99.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.509 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.95 -44.95 91.28 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.793 -179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.7 mm-40 -71.58 -32.58 68.22 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.65 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.445 ' O ' ' CE ' ' A' ' 144' ' ' MET . . . -84.54 -29.54 25.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.607 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.537 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 37.3 t0 -72.54 106.93 4.8 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.618 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 68.0 mt -69.21 -40.3 80.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.561 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -78.53 -2.67 39.82 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.245 -179.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 44.4 30.11 1.94 Allowed Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.942 -0.863 . . . . 0.0 110.942 179.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.537 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 30.0 p-10 -86.49 -3.34 59.0 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.74 0.305 . . . . 0.0 110.527 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 83.42 -3.38 85.04 Favored Glycine 0 CA--C 1.52 0.395 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.9 mt-30 -140.11 156.12 46.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.07 0.462 . . . . 0.0 110.302 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.1 t -99.04 130.49 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.437 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.445 ' OD1' ' N ' ' A' ' 138' ' ' TYR . 22.7 t-20 -96.53 165.21 12.27 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.435 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.445 ' N ' ' OD1' ' A' ' 137' ' ' ASN . 83.7 t80 -59.39 -50.73 72.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.249 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -61.02 -38.41 86.0 Favored 'General case' 0 N--CA 1.452 -0.363 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.7 tt0 -70.34 -40.78 73.92 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 120.738 0.304 . . . . 0.0 110.5 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.7 t80 -60.35 -49.09 78.98 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.36 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 73.3 t -58.21 -47.76 86.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.178 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.424 ' O ' ' N ' ' A' ' 147' ' ' ALA . 65.8 tt0 -65.6 -45.2 84.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.492 179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.445 ' CE ' ' O ' ' A' ' 128' ' ' ALA . 39.8 ttm -61.84 -33.87 74.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.394 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.584 ' SD ' HG23 ' A' ' 85' ' ' ILE . 3.1 ttt -78.09 -35.41 49.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.697 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 p -86.32 -14.13 44.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.687 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.424 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -59.91 138.41 57.83 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.455 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 C--O 1.219 -0.504 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.566 -179.927 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.559 -1.416 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 66.5 m -60.97 -41.07 95.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.36 . . . . 0.0 110.56 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -153.56 169.46 23.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.589 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 99.0 m-70 54.94 13.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.625 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 -64.97 -39.12 93.0 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.549 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -58.43 -41.95 86.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.552 -179.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.513 ' NE2' ' N ' ' A' ' 65' ' ' SER . 85.1 t60 -162.44 117.54 1.86 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.495 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 92.1 m-70 -66.39 -45.58 79.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' O ' ' O ' ' A' ' 65' ' ' SER . . . 142.76 106.05 0.56 Allowed Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.513 ' N ' ' NE2' ' A' ' 62' ' ' HIS . 4.9 m 45.16 95.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.835 0.35 . . . . 0.0 110.544 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.452 ' CB ' ' O ' ' A' ' 65' ' ' SER . 2.2 p 77.42 175.92 0.18 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.541 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.51 ' C ' ' H ' ' A' ' 69' ' ' ASN . . . 167.94 -155.68 26.68 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.879 -0.888 . . . . 0.0 110.879 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 72.9 mm-40 -71.38 34.12 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.884 0.373 . . . . 0.0 110.697 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.51 ' H ' ' C ' ' A' ' 67' ' ' GLY . 48.0 t30 -64.61 -36.52 84.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.557 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.2 mt -61.14 -39.66 90.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.51 -179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -59.8 -48.38 81.92 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.502 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 85.5 t80 -61.98 -45.41 93.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.572 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 60.6 tp60 -62.51 -25.72 68.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.412 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.473 ' O ' ' O ' ' A' ' 77' ' ' LYS . 5.0 t -59.93 -37.68 80.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.56 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.562 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.2 mp -63.32 -40.3 96.94 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.464 -179.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 75.5 mtp -70.05 -5.49 27.01 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.664 -179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.473 ' O ' ' O ' ' A' ' 74' ' ' SER . 34.1 ttpt -131.46 121.01 23.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.11 0.481 . . . . 0.0 110.593 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 77' ' ' LYS . 98.8 m-20 -138.19 -81.23 0.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.774 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.0 p -76.6 168.61 19.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.401 -179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -126.89 -35.03 2.32 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.536 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.3 m -61.73 108.19 0.95 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.215 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.592 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 2.7 pm0 -52.48 -31.85 37.05 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.624 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -64.02 -39.0 93.11 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.568 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 38.2 tp10 -66.42 -33.02 74.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.458 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 60.2 mt -62.29 -49.73 82.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.423 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.1 ttt85 -64.63 -45.94 84.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.705 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -64.24 -47.83 78.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.565 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.419 ' O ' ' OE2' ' A' ' 92' ' ' GLU . . . -57.95 -41.48 82.92 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.365 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.554 ' CE2' ' OD2' ' A' ' 93' ' ' ASP . 72.7 t80 -56.76 -45.37 82.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.342 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -63.52 -43.69 96.46 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.929 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 68.8 t -58.17 -42.01 82.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.042 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.508 ' N ' ' OE1' ' A' ' 92' ' ' GLU . 0.4 OUTLIER -70.29 -21.24 62.97 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.196 -179.687 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.554 ' OD2' ' CE2' ' A' ' 89' ' ' PHE . 97.3 m-20 -91.82 69.84 5.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.798 0.332 . . . . 0.0 110.318 179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -60.66 -40.94 93.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.656 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 95' ' ' ASP . 35.2 p-10 -80.17 -2.41 44.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.435 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 59.49 20.81 52.75 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' A' ' 98' ' ' GLY . 49.6 p-10 -69.23 -25.45 64.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.764 0.316 . . . . 0.0 110.6 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.531 ' N ' ' OD1' ' A' ' 97' ' ' ASN . . . 83.64 24.88 48.59 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.822 -0.911 . . . . 0.0 110.822 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.3 m-85 -143.33 143.94 31.88 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 120.915 0.388 . . . . 0.0 110.521 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 14.6 mm -99.51 110.79 27.47 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.192 0 CA-C-O 121.081 0.467 . . . . 0.0 110.486 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.2 p -96.69 178.26 5.38 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.529 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -56.45 -45.9 80.59 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.409 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.0 -47.38 74.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.341 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.65 -40.27 76.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.505 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.489 ' O ' ' SD ' ' A' ' 109' ' ' MET . 5.7 tp -65.2 -31.85 73.23 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.82 179.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -69.3 -42.54 75.29 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.981 -179.828 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 68.4 m-70 -56.19 -41.66 75.91 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.295 -179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 89.2 t -62.22 -45.35 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.436 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.598 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -62.99 -39.67 95.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.297 179.915 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 18.6 m -63.52 -41.09 98.51 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.261 179.592 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -61.51 -36.96 82.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.187 -179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.3 mt -76.04 -3.33 35.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.478 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.69 28.11 30.31 Favored Glycine 0 CA--C 1.52 0.37 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -124.39 142.39 51.33 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.922 0.391 . . . . 0.0 110.391 -179.764 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 36.5 ttmt -131.94 120.88 23.1 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.411 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 57.1 mt -115.28 158.24 22.64 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.441 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.484 HG22 ' N ' ' A' ' 118' ' ' ASP . 6.5 m -75.4 166.31 23.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.455 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.484 ' N ' HG22 ' A' ' 117' ' ' THR . 96.6 m-20 -63.13 -41.56 99.34 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.611 -179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -69.19 -36.73 77.62 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.576 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -64.98 -41.19 95.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.592 -179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.3 t -63.53 -45.69 97.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.467 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -58.18 -47.23 84.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.472 -179.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.449 ' O ' ' OE2' ' A' ' 127' ' ' GLU . 80.1 mm-40 -67.14 -39.56 86.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.781 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -59.19 -44.19 92.21 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.534 -179.674 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.497 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.2 mt -63.2 -43.33 98.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.381 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 81.9 mtp180 -60.12 -45.55 92.63 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.793 -179.282 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.57 ' N ' ' OE1' ' A' ' 127' ' ' GLU . 0.4 OUTLIER -68.64 -34.33 75.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.746 179.786 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.22 -30.66 27.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.72 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.552 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 64.9 t0 -67.41 115.56 7.19 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.542 -179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 66.5 mt -71.1 -43.79 75.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.819 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.6 p30 -89.72 5.08 47.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.568 -179.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.7 38.66 3.19 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.552 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 55.2 p-10 -87.35 -5.26 58.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.905 0.383 . . . . 0.0 110.295 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 80.87 -6.74 61.25 Favored Glycine 0 CA--C 1.52 0.398 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -137.11 150.39 47.97 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 121.201 0.524 . . . . 0.0 110.42 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 2.9 t -102.83 122.22 54.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.96 0.409 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -92.52 172.2 8.53 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.634 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.417 ' O ' HG23 ' A' ' 142' ' ' VAL . 90.6 t80 -59.48 -48.0 83.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.488 -179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -63.84 -43.06 97.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.689 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 8.4 tt0 -68.93 -38.81 79.73 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.708 179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -60.88 -48.28 82.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.216 -179.625 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 138' ' ' TYR . 78.5 t -57.37 -44.47 84.34 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.148 -179.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.517 ' O ' ' N ' ' A' ' 147' ' ' ALA . 88.8 mt-30 -65.1 -46.58 80.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.91 0.386 . . . . 0.0 110.603 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 56.6 ttm -58.51 -33.02 69.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.216 -179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 82.8 mmm -81.25 -33.01 33.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.952 0.406 . . . . 0.0 110.804 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.686 ' O ' HG22 ' A' ' 146' ' ' THR . 88.4 m -100.89 10.25 41.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.573 -179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.517 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.7 112.45 1.3 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 -179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 79.1 tttt . . . . . 0 C--O 1.221 -0.406 0 CA-C-O 117.941 -1.028 . . . . 0.0 110.516 -179.877 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.28 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.2 m -132.37 153.21 51.0 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.845 0.355 . . . . 0.0 110.566 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.471 ' O ' ' ND1' ' A' ' 58' ' ' HIS . 57.0 t-80 56.3 10.27 0.62 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.522 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 77.8 m80 -139.55 61.32 1.55 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.465 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 63' ' ' HIS . 72.0 m80 -100.26 44.99 0.99 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.419 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -67.05 -43.67 82.12 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.723 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.4 t60 -65.5 -42.51 92.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.69 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.428 ' O ' ' O ' ' A' ' 60' ' ' HIS . 29.1 m170 -108.86 121.57 45.37 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.524 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.43 44.38 3.17 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 87.0 p -60.25 -34.76 74.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.792 0.329 . . . . 0.0 110.488 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 31.2 t -78.63 170.99 15.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.532 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 87.43 18.57 56.83 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -72.28 157.09 38.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 0.0 110.748 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -65.39 -38.32 89.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.961 0.41 . . . . 0.0 110.632 179.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.4 mt -69.49 -26.24 64.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.905 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.3 t80 -56.55 -41.48 76.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.387 -179.347 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -59.85 -41.87 92.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.501 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 99.1 mm-40 -64.72 -24.47 67.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.559 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 4.2 t -56.69 -32.64 65.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.433 -179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.547 HD22 ' N ' ' A' ' 75' ' ' LEU . 4.0 mm? -62.62 -41.45 99.02 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.694 -179.851 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 77.8 mtp -75.69 6.43 4.89 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.449 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -132.73 -165.94 1.68 Allowed 'General case' 0 N--CA 1.465 0.279 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.405 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 22.9 t0 65.64 120.76 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.595 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.6 t -146.4 156.25 43.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.367 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -127.17 -76.37 0.57 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.548 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 14.2 m -127.72 127.64 44.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.983 0.42 . . . . 0.0 110.544 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -53.78 -34.47 59.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.509 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -65.46 -35.33 80.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.645 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -65.94 -36.23 82.79 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.475 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 58.0 mt -64.38 -42.84 96.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.42 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.429 ' NH1' ' OH ' ' A' ' 138' ' ' TYR . 91.5 mtt-85 -61.68 -43.33 99.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.733 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.454 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 98.5 mt-10 -66.91 -41.25 87.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.607 179.552 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.86 -40.48 72.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.058 -179.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 55.0 t80 -57.13 -45.0 83.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.312 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.454 ' HE ' ' HA ' ' A' ' 87' ' ' GLU . 86.0 mtm180 -59.94 -45.34 92.95 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.394 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 84.2 t -58.21 -41.03 79.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 74.6 mt-10 -72.5 -21.1 61.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.449 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.497 ' OD1' ' N ' ' A' ' 97' ' ' ASN . 36.0 t0 -100.45 66.04 1.24 Allowed 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.245 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 54.2 mtpt -60.56 -37.5 81.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.881 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -78.97 4.07 15.35 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.598 -179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 63.13 24.76 67.46 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.711 ' ND2' ' H ' ' A' ' 99' ' ' TYR . 1.0 OUTLIER -86.45 118.86 26.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.338 0.59 . . . . 0.0 109.834 179.696 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.2 1.26 0.03 OUTLIER Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.441 -0.663 . . . . 0.0 111.441 179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.711 ' H ' ' ND2' ' A' ' 97' ' ' ASN . 64.2 m-85 -128.42 143.25 50.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.056 0.455 . . . . 0.0 110.449 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -101.57 123.48 54.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.434 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 68.6 m -96.55 179.82 4.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.313 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -61.06 -46.35 91.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.632 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.82 -49.38 65.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.462 -179.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 79.1 mt-10 -66.24 -37.16 84.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.316 179.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.487 ' O ' HG12 ' A' ' 108' ' ' VAL . 47.5 tp -62.46 -31.35 72.06 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.235 179.536 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -73.96 -31.51 63.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.005 0.431 . . . . 0.0 110.59 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -58.26 -42.22 85.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.782 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.487 HG12 ' O ' ' A' ' 105' ' ' LEU . 0.8 OUTLIER -65.49 -40.33 87.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.667 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.447 ' SD ' HD12 ' A' ' 116' ' ' LEU . 61.0 mtt -68.95 -37.34 78.79 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.207 -179.113 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 96.4 m -59.17 -24.81 63.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.485 -179.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.413 ' OD1' ' O ' ' A' ' 111' ' ' ASN . 57.2 t-20 -56.98 -30.87 64.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.388 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 44.6 tp -70.75 -33.41 70.77 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-O 120.734 0.302 . . . . 0.0 110.459 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 104.54 19.29 11.42 Favored Glycine 0 CA--C 1.522 0.489 0 N-CA-C 111.179 -0.769 . . . . 0.0 111.179 -179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -129.36 113.17 14.63 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.784 0.326 . . . . 0.0 110.275 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -82.41 139.15 34.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.54 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.447 HD12 ' SD ' ' A' ' 109' ' ' MET . 65.2 mt -108.6 163.49 13.19 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.369 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.434 HG22 ' N ' ' A' ' 118' ' ' ASP . 4.8 m -77.2 164.28 25.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.514 -179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.434 ' N ' HG22 ' A' ' 117' ' ' THR . 68.2 t0 -66.23 -41.15 90.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.819 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.67 -38.23 86.4 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.709 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -61.09 -45.09 96.11 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.793 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.0 t -62.3 -45.32 99.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.323 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 46.8 t0 -58.3 -48.46 80.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.939 0.399 . . . . 0.0 110.701 -179.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.58 -39.65 88.55 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.708 179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 13.5 tpt -60.28 -46.16 90.8 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.59 -179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -63.26 -43.17 98.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.295 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.0 mmt85 -60.09 -42.72 95.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.005 -179.606 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -67.47 -39.11 85.27 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.3 -24.85 29.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.715 -179.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 125' ' ' ILE . 42.0 t0 -78.23 100.8 6.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.582 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 60.6 mt -68.57 -26.12 32.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.408 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -84.18 -1.42 55.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.457 -179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.21 25.84 0.47 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.449 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 31.5 p30 -90.69 -5.6 55.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.628 0.251 . . . . 0.0 110.568 -179.422 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 75.56 2.57 69.37 Favored Glycine 0 CA--C 1.522 0.472 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.523 ' NE2' ' CG ' ' A' ' 99' ' ' TYR . 53.1 tt0 -129.25 143.05 50.71 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.909 0.385 . . . . 0.0 110.229 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 97.4 t -98.73 122.6 50.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.264 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 93.0 m-20 -95.42 161.99 13.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.543 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.429 ' OH ' ' NH1' ' A' ' 86' ' ' ARG . 79.2 t80 -59.42 -49.15 78.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.407 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.487 ' H ' ' CD ' ' A' ' 139' ' ' GLU . 45.7 mp0 -60.89 -39.92 91.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.452 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -71.02 -37.53 72.61 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-O 120.68 0.276 . . . . 0.0 110.504 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -60.91 -48.47 81.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.502 -179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 75.8 t -58.34 -45.07 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.169 -179.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.425 ' O ' ' N ' ' A' ' 147' ' ' ALA . 77.8 mt-30 -63.63 -47.56 80.86 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.909 0.385 . . . . 0.0 110.733 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 61.8 ttp -58.95 -30.81 68.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.333 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 80.6 mmm -87.67 -32.95 18.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.3 m -96.31 8.8 43.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.524 -179.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -65.94 134.29 52.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.344 -179.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 99.4 mttt . . . . . 0 C--O 1.221 -0.441 0 CA-C-O 117.954 -1.022 . . . . 0.0 110.677 179.85 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.53 -1.428 . . . . 0.0 109.53 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.2 m -71.24 144.92 49.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 0.0 110.431 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -74.19 147.67 42.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.63 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 -76.64 -162.06 0.23 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.477 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -61.57 139.88 58.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.461 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -77.94 -77.47 0.16 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.612 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 -165.9 100.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.595 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.2 p80 -157.03 155.03 30.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.618 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 159.78 153.22 6.79 Favored Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.9 p -156.54 34.46 0.31 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.782 0.325 . . . . 0.0 110.574 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 39.5 t -79.22 174.64 11.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.652 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' C ' ' H ' ' A' ' 69' ' ' ASN . . . -162.9 176.28 39.19 Favored Glycine 0 CA--C 1.519 0.301 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 18.9 mp0 65.46 -43.12 0.35 Allowed 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 120.818 0.342 . . . . 0.0 110.735 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 67' ' ' GLY . 35.4 t30 -65.13 -37.04 86.15 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.479 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 92.0 mt -61.9 -39.97 93.82 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.598 -179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.88 -42.04 97.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.367 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.9 t80 -60.51 -42.6 96.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.486 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 56.6 tt0 -56.05 -26.38 48.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.605 -179.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.4 m -60.17 -36.72 78.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.547 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.559 ' N ' HD12 ' A' ' 75' ' ' LEU . 10.3 mp -64.18 -40.13 95.45 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.471 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 40.8 mtt -69.6 -11.34 60.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.665 -179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 50.9 mtpt -94.44 -168.95 1.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.473 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 70.62 63.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.549 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.524 ' O ' ' N ' ' A' ' 81' ' ' SER . 21.6 p -78.23 -15.65 58.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.713 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 55.6 t0 55.06 -82.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.56 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.524 ' N ' ' O ' ' A' ' 79' ' ' THR . 13.3 t -140.81 123.24 15.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.447 179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.468 ' H ' ' CD ' ' A' ' 82' ' ' GLU . 56.2 mp0 -54.16 -38.9 66.05 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.748 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 78.9 tt0 -64.42 -37.97 89.38 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.76 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -66.03 -36.03 82.14 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.463 -179.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.5 -43.85 98.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.432 -179.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.409 HH12 ' HB3' ' A' ' 82' ' ' GLU . 83.4 mtt85 -61.23 -43.51 98.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.558 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -65.92 -43.62 87.6 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.43 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.99 -40.87 77.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.425 -179.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -60.48 -46.46 90.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.367 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.41 HH11 ' HG3' ' A' ' 90' ' ' ARG . 59.4 ttm-85 -63.7 -47.09 82.55 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.384 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.57 -41.12 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.207 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' A' ' 104' ' ' GLU . 45.0 tp10 -71.23 -23.83 62.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.332 -179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 43.5 t0 -87.01 77.86 9.09 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.481 179.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 53.9 mtmt -60.69 -41.89 96.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.664 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 97' ' ' ASN . 7.9 m-20 -77.65 -2.46 36.08 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.333 -179.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.26 21.55 0.74 Allowed Glycine 0 CA--C 1.522 0.521 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.401 ' N ' ' C ' ' A' ' 95' ' ' ASP . 27.5 p-10 -78.18 -10.34 59.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.353 . . . . 0.0 110.606 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.63 21.52 57.87 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.884 -0.886 . . . . 0.0 110.884 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.3 m-85 -142.92 146.3 33.88 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.908 0.385 . . . . 0.0 110.382 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 30.9 mm -109.68 122.27 64.0 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.996 0.426 . . . . 0.0 110.456 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.489 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 11.3 t -97.97 179.71 4.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.426 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.489 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -57.37 -47.08 82.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.551 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.56 -49.01 73.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.55 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.425 ' O ' ' OE2' ' A' ' 92' ' ' GLU . 41.7 mt-10 -71.46 -40.35 70.35 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.59 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 5.6 tt -63.06 -33.14 74.8 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.703 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 57.2 ttp180 -71.26 -34.65 70.9 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.462 179.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 2.7 t-80 -55.7 -41.04 73.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.173 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 93.9 t -61.66 -45.69 98.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.483 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 23.3 mmt -61.94 -37.74 85.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.531 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 m -57.56 -39.4 76.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.349 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 41.6 t-20 -58.45 -37.19 74.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.375 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.453 ' N ' HD12 ' A' ' 112' ' ' LEU . 11.2 mp -69.82 -31.35 69.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.401 179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 102.19 30.11 5.8 Favored Glycine 0 CA--C 1.52 0.385 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 33.2 tp10 -108.93 133.23 53.21 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.088 0.471 . . . . 0.0 110.214 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -103.77 107.13 17.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.493 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 44.6 mt -110.87 145.9 37.43 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 8.1 p -77.04 169.2 18.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.407 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 119' ' ' GLU . 39.2 p-10 -62.94 -41.41 99.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.762 -179.512 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.521 ' N ' ' OD1' ' A' ' 118' ' ' ASP . 79.4 tt0 -68.91 -40.06 79.33 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.657 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -61.71 -40.96 96.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.626 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.3 t -62.26 -45.74 98.07 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.37 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.45 -49.1 79.09 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.499 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -66.57 -36.6 83.04 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.726 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 12.7 tpp -59.39 -39.55 83.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.96 0.409 . . . . 0.0 110.355 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.7 mt -67.11 -42.49 88.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.696 -179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.63 -47.01 85.82 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.391 -177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -65.57 -34.09 77.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.968 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -82.46 -28.2 31.4 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.549 -179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.56 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 42.9 t0 -67.5 110.05 3.48 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.235 -179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 70.9 mt -70.43 -44.34 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.981 -179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 32.2 p30 -93.28 8.48 40.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.705 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 43.19 45.44 6.32 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.56 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 36.3 p-10 -92.62 0.28 57.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.848 0.356 . . . . 0.0 110.508 -179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.406 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 75.48 -10.77 10.93 Favored Glycine 0 CA--C 1.52 0.348 0 N-CA-C 111.096 -0.802 . . . . 0.0 111.096 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -136.55 150.93 48.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.04 0.448 . . . . 0.0 110.546 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.1 t -95.88 124.19 48.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.079 0.466 . . . . 0.0 110.325 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -92.41 162.09 14.39 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.581 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -59.38 -49.96 75.79 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.343 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -59.48 -39.03 82.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.458 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -73.67 -33.84 64.64 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-O 120.693 0.282 . . . . 0.0 110.451 179.589 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -62.5 -50.0 73.15 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.399 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 72.3 t -58.98 -47.37 90.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.234 -179.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.556 ' O ' ' N ' ' A' ' 147' ' ' ALA . 78.1 mt-30 -66.53 -47.46 72.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.009 0.433 . . . . 0.0 110.752 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.452 ' SD ' ' C ' ' A' ' 144' ' ' MET . 12.5 tmm? -60.26 -32.6 71.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.612 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 79.3 mmm -74.78 -39.45 61.75 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.95 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.709 HG22 ' O ' ' A' ' 146' ' ' THR . 86.2 m -104.3 13.11 32.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.616 -179.402 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.556 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -56.88 105.82 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.461 -179.632 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 117.98 -1.009 . . . . 0.0 110.614 -179.954 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.37 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 69.5 m -68.03 147.5 52.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 110.535 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -65.2 -39.56 92.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.523 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 99.9 m-70 -85.0 62.51 7.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.499 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -59.33 -88.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.608 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.529 ' CD2' ' O ' ' A' ' 62' ' ' HIS . 86.4 t60 -165.58 140.42 4.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.484 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 99.2 m-70 -102.36 -169.58 1.69 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.563 179.886 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 75.0 m80 55.02 176.35 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.451 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.78 168.26 38.87 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 35.5 t -70.02 62.88 0.21 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.844 0.354 . . . . 0.0 110.492 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 79.3 p -65.46 -32.68 74.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.496 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.1 38.08 48.16 Favored Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.02 -34.54 72.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.775 0.322 . . . . 0.0 110.461 -179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -61.76 -44.42 96.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.53 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.551 HD22 ' N ' ' A' ' 70' ' ' LEU . 3.9 mm? -65.41 -40.52 93.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.812 179.515 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -63.15 -37.44 87.24 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.288 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -58.97 -42.62 90.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.49 -179.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 59.5 tt0 -58.75 -30.05 67.2 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.635 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.4 m -60.04 -38.1 81.75 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.592 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.549 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.2 mp -61.81 -42.16 98.66 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.374 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.437 ' O ' ' O ' ' A' ' 77' ' ' LYS . 42.2 mtt -71.71 -7.23 46.78 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.777 179.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' A' ' 76' ' ' MET . 64.5 mttp 55.75 159.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.584 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -159.93 95.2 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.58 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.428 ' OG1' HD11 ' A' ' 85' ' ' ILE . 74.4 p -85.74 167.08 15.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.856 0.36 . . . . 0.0 110.335 179.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -117.25 60.7 0.75 Allowed 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.609 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.8 p -166.36 94.22 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.387 179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 83.4 tt0 -51.28 -37.89 49.81 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.404 -179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -63.59 -36.7 84.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.458 -0.337 . . . . 0.0 110.558 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.9 tp10 -64.29 -34.43 78.11 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.419 -179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.428 HD11 ' OG1' ' A' ' 79' ' ' THR . 28.1 mm -61.82 -46.51 96.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.498 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -63.19 -44.18 96.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.28 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.447 ' O ' HG23 ' A' ' 91' ' ' VAL . 94.2 mt-10 -67.37 -44.56 78.66 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-O 121.182 0.515 . . . . 0.0 110.477 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.452 ' O ' ' OE1' ' A' ' 92' ' ' GLU . . . -63.06 -48.3 79.26 Favored 'General case' 0 C--N 1.321 -0.642 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.92 -179.718 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -55.64 -55.22 34.63 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.723 -0.391 . . . . 0.0 111.521 -178.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.446 ' CG ' ' N ' ' A' ' 91' ' ' VAL . 14.7 ptm180 -63.44 -44.62 94.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.907 0.384 . . . . 0.0 111.093 -179.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.447 HG23 ' O ' ' A' ' 87' ' ' GLU . 21.2 t -58.23 -41.37 80.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 -179.253 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.49 ' N ' ' OE1' ' A' ' 92' ' ' GLU . 1.2 mp0 -71.87 -17.14 62.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.282 -179.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' A' ' 98' ' ' GLY . 15.4 t0 -85.36 83.03 8.09 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.241 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 78.0 tttt -60.02 -45.13 93.79 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-O 120.801 0.334 . . . . 0.0 111.069 -179.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.54 ' OD2' ' ND2' ' A' ' 97' ' ' ASN . 25.1 p-10 -81.23 -1.78 46.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.876 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.545 ' N ' ' OD1' ' A' ' 93' ' ' ASP . . . 51.11 22.74 6.92 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.54 ' ND2' ' OD2' ' A' ' 95' ' ' ASP . 44.4 p-10 -72.16 -11.23 60.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.532 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' A' ' 93' ' ' ASP . . . 81.74 23.5 57.78 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.712 -0.955 . . . . 0.0 110.712 -179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -143.05 145.16 32.64 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.867 0.365 . . . . 0.0 110.479 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 20.2 mm -104.17 119.68 53.31 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.317 179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.5 ' OG ' ' N ' ' A' ' 102' ' ' ALA . 8.2 t -109.03 179.06 4.28 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.467 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . 0.5 ' N ' ' OG ' ' A' ' 101' ' ' SER . . . -54.28 -44.79 72.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -54.04 -48.5 70.49 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.208 -179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -72.25 -36.84 69.17 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.923 0.392 . . . . 0.0 110.449 179.389 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.611 ' O ' HD23 ' A' ' 105' ' ' LEU . 1.0 OUTLIER -62.36 -31.35 71.98 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.243 0.544 . . . . 0.0 110.008 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 78.6 ttt-85 -65.68 -39.35 91.22 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.839 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -54.66 -41.55 70.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.213 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 88.9 t -66.1 -44.44 91.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.409 -0.359 . . . . 0.0 110.431 179.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.445 ' SD ' HD12 ' A' ' 116' ' ' LEU . 57.7 mtt -63.73 -41.84 97.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.836 0.35 . . . . 0.0 110.276 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 10.7 m -60.51 -40.33 91.04 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.11 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 91.5 m-20 -58.53 -31.75 68.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.279 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 92.3 mt -71.3 -20.39 62.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.33 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.46 22.28 44.58 Favored Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.085 -0.806 . . . . 0.0 111.085 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 79.1 tt0 -139.52 104.39 4.93 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.894 0.378 . . . . 0.0 110.45 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -82.43 140.62 33.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.324 179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.445 HD12 ' SD ' ' A' ' 109' ' ' MET . 49.1 mt -112.35 163.08 14.83 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.417 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 1.2 m -75.45 164.36 26.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.522 -179.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -62.49 -40.71 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.684 -179.601 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.413 ' OE1' ' N ' ' A' ' 119' ' ' GLU . 58.4 mp0 -67.27 -38.33 84.9 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.688 179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 78.7 mm-40 -61.42 -45.68 93.31 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.771 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.8 t -63.89 -45.98 95.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.575 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 49.7 t0 -58.65 -48.96 79.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.768 -179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -66.27 -36.84 84.03 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.688 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 26.6 ttt -61.86 -41.08 97.41 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.122 0.487 . . . . 0.0 110.511 -179.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.429 ' O ' ' N ' ' A' ' 129' ' ' ASP . 97.1 mt -67.32 -42.85 88.09 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.471 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.988 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -61.87 -44.99 95.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.608 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -72.73 -30.63 64.33 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.06 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -84.64 -29.78 25.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.714 -179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.553 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 62.9 t0 -65.97 115.66 6.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.545 -179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 59.5 mt -70.18 -44.05 78.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 18.6 p30 -91.28 7.71 39.54 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.659 -179.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.96 37.1 2.06 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.862 -0.895 . . . . 0.0 110.862 179.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.553 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 46.8 p-10 -85.2 -2.37 57.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.478 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 78.7 -6.41 54.05 Favored Glycine 0 CA--C 1.52 0.361 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 42.8 tt0 -131.85 144.95 51.26 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-O 121.213 0.53 . . . . 0.0 110.511 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 88.4 t -92.72 124.24 45.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.261 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 32.5 m120 -98.17 170.75 8.68 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.701 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -61.52 -47.54 85.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.436 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.55 -40.85 88.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.349 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -67.67 -43.73 79.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.453 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 42.5 t80 -60.84 -50.59 72.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.267 -179.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.1 t -58.25 -43.76 86.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.949 -179.471 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 68.0 tp60 -61.01 -48.9 79.67 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.732 -0.387 . . . . 0.0 110.472 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 78.9 mtm -65.18 -34.56 78.66 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.012 0.434 . . . . 0.0 110.533 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.401 ' HE2' ' H ' ' A' ' 79' ' ' THR . 0.7 OUTLIER -75.25 -39.65 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.842 -0.617 . . . . 0.0 111.243 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.634 ' O ' HG22 ' A' ' 146' ' ' THR . 34.6 m -99.33 14.04 31.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.781 -179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . -56.67 131.24 48.46 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.395 -179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 35.1 ttpt . . . . . 0 C--O 1.222 -0.366 0 CA-C-O 117.868 -1.063 . . . . 0.0 110.785 -179.836 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.267 0 N-CA-C 109.575 -1.41 . . . . 0.0 109.575 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 35.9 p -157.26 161.7 39.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.785 0.326 . . . . 0.0 110.435 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.564 ' CD2' ' H ' ' A' ' 58' ' ' HIS . 6.3 p80 -95.81 46.2 1.09 Allowed 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.436 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 44.8 p-80 -71.73 145.11 49.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.411 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -106.4 142.99 35.16 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.388 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 59.9 t-80 -71.78 130.33 40.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.342 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.1 m80 -108.06 128.37 54.61 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.361 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 96.2 m-70 -61.77 -42.07 98.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.473 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.45 108.97 0.23 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.6 p -66.52 -43.38 85.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.79 0.329 . . . . 0.0 110.68 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 38.8 t -78.53 142.58 37.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.485 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -92.74 77.85 1.18 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.744 -0.943 . . . . 0.0 110.744 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -79.34 168.7 19.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.794 0.33 . . . . 0.0 110.518 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -64.2 -33.34 75.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.49 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 70' ' ' LEU . 10.4 mp -61.65 -38.69 88.64 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.488 -179.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -59.37 -48.79 80.3 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.48 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -67.04 -37.72 84.6 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.641 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 9.8 tp-100 -62.49 -31.56 72.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.53 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 77' ' ' LYS . 57.3 m -58.09 -39.2 77.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.609 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.529 HD12 ' N ' ' A' ' 75' ' ' LEU . 10.3 mp -63.1 -40.07 96.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.536 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 144' ' ' MET . 50.9 mmm -71.33 0.02 9.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.609 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.454 ' O ' ' O ' ' A' ' 74' ' ' SER . 34.8 ttmt -134.52 144.21 47.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.642 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -147.26 -82.93 0.12 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.714 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 32.6 p -87.03 113.05 22.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.68 -179.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -64.5 -44.09 92.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.598 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.4 t -57.28 109.04 0.6 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.432 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -53.34 -34.14 56.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.651 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 72.5 mm-40 -64.89 -38.57 91.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.716 -179.689 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -63.47 -32.4 73.84 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.758 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 59.2 mt -60.74 -45.99 96.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.464 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.0 ttm180 -58.91 -44.9 91.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.386 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -67.67 -36.65 81.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.567 179.384 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -58.12 -45.64 86.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 -179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -56.45 -44.08 80.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.26 -179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 -55.76 -45.01 78.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.231 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.451 ' C ' ' H ' ' A' ' 93' ' ' ASP . 94.5 t -66.48 -42.1 89.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-O 121.032 0.444 . . . . 0.0 110.419 179.581 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 79.6 mm-40 -72.99 13.73 0.36 Allowed 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.415 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.451 ' H ' ' C ' ' A' ' 91' ' ' VAL . 4.3 m-20 -149.88 65.31 0.98 Allowed 'General case' 0 CA--C 1.531 0.227 0 CA-C-O 121.025 0.44 . . . . 0.0 110.686 179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 9.2 ptmm? -58.53 -32.06 68.51 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.534 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 42.3 p30 -77.89 -1.0 29.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.582 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 64.59 30.95 79.31 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.6 ' C ' ' H ' ' A' ' 99' ' ' TYR . 3.3 t-20 -89.01 117.26 27.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.232 0.539 . . . . 0.0 110.43 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -53.03 -0.51 0.05 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.6 ' H ' ' C ' ' A' ' 97' ' ' ASN . 91.0 m-85 -129.82 149.88 51.36 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 179.306 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 72.9 mt -107.11 127.29 62.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.333 -179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 11.4 p -101.28 179.37 4.38 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.392 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.21 92.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.716 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -52.44 -47.29 66.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.141 -179.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.9 mt-10 -70.57 -34.38 72.14 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.004 0.43 . . . . 0.0 109.978 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.624 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -62.61 -32.57 73.61 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.269 0.556 . . . . 0.0 110.384 -179.615 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 74.2 ttt180 -63.96 -35.48 80.81 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.729 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . 0.446 ' O ' ' OG1' ' A' ' 110' ' ' THR . 28.1 m170 -54.42 -40.35 68.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.917 -179.125 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 71.2 t -59.73 -44.74 94.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 C-N-CA 120.885 -0.326 . . . . 0.0 110.225 179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.587 ' N ' ' SD ' ' A' ' 109' ' ' MET . 0.0 OUTLIER -61.83 -40.4 95.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.538 -179.579 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' A' ' 107' ' ' HIS . 69.1 p -63.09 -33.04 74.59 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-O 120.74 0.305 . . . . 0.0 110.487 -179.57 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 54.8 t-20 -64.06 -41.82 97.22 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.555 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.414 ' N ' HD12 ' A' ' 112' ' ' LEU . 11.0 mp -72.06 -30.88 65.59 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.524 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 106.06 -14.7 44.39 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.541 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -69.71 145.05 52.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.673 0.273 . . . . 0.0 110.314 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -115.96 113.42 23.25 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.982 0.42 . . . . 0.0 110.419 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 56.6 mt -118.22 158.85 24.37 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.211 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 46.9 p -83.5 167.68 17.18 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.388 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -62.61 -40.61 97.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.743 -179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -63.49 -39.24 93.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.501 -179.499 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -64.62 -38.88 92.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.55 179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.82 -46.94 92.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.435 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -60.28 -46.1 91.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.577 -179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 73.6 mm-40 -67.32 -36.87 82.36 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.579 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 37.7 tpp -61.61 -45.14 95.36 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.441 -179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 129' ' ' ASP . 96.8 mt -63.33 -42.97 98.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.3 -179.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 73.8 ttt180 -56.92 -42.1 79.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.462 -179.375 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -65.25 -36.29 83.67 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.564 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -85.78 -24.06 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.586 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.536 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 50.1 t0 -62.0 111.42 1.91 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.358 -179.661 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.3 mm -68.53 -44.53 82.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.253 -179.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.439 ' OD1' ' OD1' ' A' ' 129' ' ' ASP . 39.6 p30 -98.2 14.36 28.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.991 -178.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 42.46 35.15 1.86 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.536 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.4 p-10 -80.11 -1.52 40.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.733 0.302 . . . . 0.0 110.655 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 79.28 -3.07 68.13 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -140.22 157.34 45.74 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.946 0.403 . . . . 0.0 110.329 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 72.9 t -98.68 122.09 49.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.147 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 80.9 m-20 -91.92 161.15 14.94 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.362 -179.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 86.7 t80 -59.3 -50.22 74.83 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.45 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -59.35 -37.89 79.01 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.39 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.418 ' OE2' ' OD2' ' A' ' 131' ' ' ASP . 39.3 mt-10 -75.28 -32.69 61.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.523 179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -60.93 -47.79 84.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.394 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 91.3 t -58.41 -45.93 89.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.001 -179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.529 ' O ' ' N ' ' A' ' 147' ' ' ALA . 16.2 mm100 -65.55 -45.24 84.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.868 0.366 . . . . 0.0 110.523 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.43 ' O ' ' O ' ' A' ' 76' ' ' MET . 52.8 ttm -59.12 -32.88 70.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.301 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 17.8 tpp -86.65 -33.52 20.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.429 ' O ' HG22 ' A' ' 146' ' ' THR . 8.9 m -94.92 3.87 54.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 121.026 0.441 . . . . 0.0 110.682 -179.59 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 143' ' ' GLN . . . -58.2 140.41 53.09 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.416 -179.809 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . 0.408 ' H ' ' HG2' ' A' ' 148' ' ' LYS . 22.1 pttp . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.531 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.314 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 71.1 m -70.92 145.69 49.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.857 0.36 . . . . 0.0 110.511 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.411 ' C ' ' ND1' ' A' ' 58' ' ' HIS . 9.7 p80 -81.83 154.77 25.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.56 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -150.61 149.98 30.58 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.544 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -98.14 65.33 1.72 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.571 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 83.0 t60 -63.59 -46.83 84.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.545 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.461 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 78.5 t60 -160.57 168.03 25.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.582 179.857 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.461 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 90.1 m-70 -59.48 -46.48 88.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.651 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.82 119.54 5.27 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 11.0 p -155.87 158.89 38.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.841 0.353 . . . . 0.0 110.525 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 96.3 p -79.39 161.73 25.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.599 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 83.24 1.46 90.43 Favored Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.946 -0.861 . . . . 0.0 110.946 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -113.9 38.61 2.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.746 0.308 . . . . 0.0 110.637 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -64.03 -28.44 69.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.95 -32.89 74.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.507 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 88.1 t80 -57.82 -45.47 86.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.517 -179.769 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -60.96 -45.0 96.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.555 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -67.22 -29.58 69.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.545 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 15.6 m -59.04 -32.75 70.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.524 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 40.8 tp -62.02 -44.63 96.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.657 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 35.9 mtt -75.88 -6.11 49.28 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.62 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.2 tttm -95.06 127.61 41.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.606 -179.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -169.49 124.96 0.85 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.525 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 p -112.64 132.07 55.34 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.621 -179.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.407 ' O ' ' O ' ' A' ' 81' ' ' SER . 53.3 p-10 -168.64 55.79 0.05 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.548 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 80' ' ' ASP . 1.3 m 59.23 117.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.556 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -54.43 -32.74 58.08 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.475 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -63.38 -40.85 98.36 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.769 -178.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 42.6 tp10 -58.48 -31.32 67.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.477 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 38.0 mm -59.39 -43.7 90.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.587 -179.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -61.15 -46.41 90.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.595 -179.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.63 -36.84 76.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.577 179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.42 -43.83 84.13 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.532 -179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -56.79 -43.9 81.35 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.281 -179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.9 ttp180 -58.28 -45.35 88.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.535 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.412 ' C ' ' H ' ' A' ' 93' ' ' ASP . 94.8 t -69.64 -41.0 80.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.666 179.435 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.461 ' O ' ' OE1' ' A' ' 104' ' ' GLU . 97.4 mt-10 -73.45 10.25 1.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.595 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.412 ' H ' ' C ' ' A' ' 91' ' ' VAL . 43.8 t0 -130.87 68.93 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.671 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -60.24 -40.11 89.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.609 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.417 ' C ' ' N ' ' A' ' 97' ' ' ASN . 5.2 m-20 -76.01 -2.73 32.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.281 -179.56 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 46.15 19.89 0.45 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.486 ' N ' ' OD1' ' A' ' 97' ' ' ASN . 9.9 p-10 -73.17 -12.76 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.893 0.377 . . . . 0.0 110.562 179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 87.02 15.57 62.58 Favored Glycine 0 CA--C 1.523 0.564 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.49 ' C ' HD12 ' A' ' 100' ' ' ILE . 96.3 m-85 -138.97 143.24 38.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.842 0.353 . . . . 0.0 110.555 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.51 HD12 ' N ' ' A' ' 100' ' ' ILE . 1.5 mp -101.08 121.13 51.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.528 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 10.3 p -98.3 179.42 4.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.623 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -59.72 -48.08 83.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.616 179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -50.92 -48.56 60.68 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.274 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.461 ' OE1' ' O ' ' A' ' 92' ' ' GLU . 16.4 mt-10 -64.35 -35.48 81.0 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.473 178.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.652 HD13 ' O ' ' A' ' 105' ' ' LEU . 0.2 OUTLIER -64.1 -31.33 72.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.463 179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.4 ttt-85 -69.01 -42.01 76.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.027 -179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -56.05 -41.27 74.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.438 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.3 t -65.33 -49.02 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.646 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 84.7 mmm -65.52 -39.02 91.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.572 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 16.9 m -57.2 -37.61 72.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.446 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 55.7 t-20 -59.65 -40.74 88.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.582 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.472 ' N ' HD12 ' A' ' 112' ' ' LEU . 10.9 mp -72.81 -8.2 54.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.531 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 89.4 -2.68 83.37 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 69.4 mm-40 -69.68 123.63 21.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.351 . . . . 0.0 110.566 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -102.62 106.79 17.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.538 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 58.7 mt -118.28 157.12 27.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.485 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.0 p -86.34 167.69 14.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.629 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -64.18 -36.69 84.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.559 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -67.34 -39.89 85.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.663 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -62.55 -44.45 96.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.606 -179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.1 t -61.88 -47.02 95.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.478 179.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 57.1 t0 -58.53 -47.69 83.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.55 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -66.87 -38.2 85.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.58 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . . . . . . . . . 11.0 tpt -61.7 -40.35 94.71 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.523 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.415 ' O ' ' N ' ' A' ' 129' ' ' ASP . 4.7 mm -64.02 -44.41 97.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.702 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 43.9 ttm180 -59.13 -41.48 88.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.515 -179.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.92 -40.02 79.3 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.613 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -78.07 -26.2 48.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.613 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.58 ' OD2' ' N ' ' A' ' 133' ' ' ASP . 60.6 t0 -63.23 112.56 2.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.647 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.432 HD12 ' HG2' ' A' ' 140' ' ' GLU . 42.2 mt -69.89 -44.05 79.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.685 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.4 p30 -89.99 8.24 33.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.674 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 41.98 38.59 2.56 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.864 -0.894 . . . . 0.0 110.864 179.576 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.58 ' N ' ' OD2' ' A' ' 129' ' ' ASP . 39.1 p-10 -89.71 0.61 56.87 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 110.622 179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.473 ' N ' ' OD2' ' A' ' 129' ' ' ASP . . . 83.2 -0.77 89.55 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -139.6 159.48 42.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.897 0.38 . . . . 0.0 110.516 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 53.1 t -108.54 129.97 62.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.369 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -94.17 174.01 7.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.551 -179.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -60.72 -49.59 76.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.52 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.444 ' OE1' ' N ' ' A' ' 139' ' ' GLU . 56.4 mp0 -61.78 -36.73 81.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.548 179.633 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.432 ' HG2' HD12 ' A' ' 130' ' ' ILE . 27.1 mt-10 -66.47 -44.63 82.19 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.675 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 59.6 t80 -62.1 -47.71 83.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.612 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.0 t -56.9 -46.73 83.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.107 -179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.577 ' O ' ' HB2' ' A' ' 147' ' ' ALA . 91.0 mm-40 -66.54 -44.25 82.94 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.599 179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 33.8 ttm -59.42 -38.33 80.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.433 -179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -75.46 -42.46 53.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.846 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.653 ' O ' HG22 ' A' ' 146' ' ' THR . 49.3 m -88.79 0.59 56.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.57 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.577 ' HB2' ' O ' ' A' ' 143' ' ' GLN . . . -63.41 142.49 58.37 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.559 -179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 10.0 mtpm? . . . . . 0 C--O 1.22 -0.49 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.512 179.916 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_