data_2lap_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 2lap _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 ' 100' ' ' GLY . . . . . 0.425 ' O ' ' OE2' ' A' ' 103' ' ' GLU . . . . . . . . 0 CA--C 1.526 0.72 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.43 -23.1 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.741 0.305 . . . . 0.0 110.53 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -56.98 -72.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.471 ' OE2' ' N ' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -58.75 -20.37 48.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.539 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.471 ' N ' ' OE2' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -67.51 -54.01 23.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -65.37 -22.64 66.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.99 -46.01 75.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.73 -37.24 86.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.65 -45.68 91.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.404 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -60.74 -42.54 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 113' ' ' THR . 41.7 tp10 -46.0 -62.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -61.49 -46.07 91.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.773 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 115' ' ' GLY . 10.9 t70 -82.75 51.15 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 110' ' ' GLU . 89.3 m -64.26 -44.6 91.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.629 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 38.9 p-10 -60.33 -42.11 94.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.411 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.584 ' C ' ' H ' ' A' ' 117' ' ' GLY . . . 126.8 -137.19 9.82 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 70.77 -22.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.703 0.287 . . . . 0.0 110.426 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 115' ' ' GLY . . . 74.38 14.8 80.59 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 18.9 pt-20 -150.07 159.46 44.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.54 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.6 mt -110.33 125.82 67.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.647 ' HG ' ' NH1' ' A' ' 155' ' ' ARG . 5.8 m -98.48 -167.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.559 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 p -76.05 -35.8 59.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.682 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.6 m -80.84 -17.47 50.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.524 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' A' ' 120' ' ' SER . 49.9 mt-10 -77.43 -70.94 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.642 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.19 -32.67 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . 0.536 ' NH2' ' OE2' ' A' ' 142' ' ' GLU . 43.2 ttm180 -61.38 -43.83 98.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.61 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -62.54 -26.26 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.56 -31.09 24.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 9.9 mmt -59.7 -39.91 86.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.296 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.32 -44.17 92.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.385 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.21 -41.43 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 131' ' ' LEU . 7.1 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.72 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.424 HD13 ' H ' ' A' ' 141' ' ' ILE . 3.4 mp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.849 0.357 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.536 ' OE2' ' NH2' ' A' ' 125' ' ' ARG . 69.4 mm-40 -50.88 -15.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 141' ' ' ILE . 95.3 mt-10 -90.91 -37.97 13.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.594 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.419 HD11 HG23 ' A' ' 144' ' ' ILE . 96.4 mt -64.04 -44.09 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.607 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.2 tp -55.82 -36.66 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -65.77 -38.77 89.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.586 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.464 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 14.9 m-20 -62.44 -40.06 95.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.403 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.8 t -79.91 -42.64 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -77.99 56.77 1.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.728 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 39.1 mt -88.62 12.15 15.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.414 HD22 ' NH2' ' A' ' 163' ' ' ARG . 7.5 m120 -102.16 -15.03 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.634 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.1 -8.08 58.5 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.7 p-10 -69.04 -26.25 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.552 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 88.17 1.63 81.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.647 ' NH1' ' HG ' ' A' ' 120' ' ' SER . 96.1 mtt-85 -143.74 169.97 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.651 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.25 122.46 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.548 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.42 ' OD1' ' CB ' ' A' ' 160' ' ' GLU . 49.6 p-10 -98.0 -160.43 0.8 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.546 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -74.1 -44.54 53.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 159' ' ' GLU . 58.9 mp0 -67.6 -45.53 75.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.42 ' CB ' ' OD1' ' A' ' 157' ' ' ASP . 78.1 tt0 -61.99 -35.02 77.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.466 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 161' ' ' PHE . 33.8 t80 -59.21 -45.53 90.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.15 -45.99 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.722 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . 0.414 ' NH2' HD22 ' A' ' 151' ' ' ASN . 89.1 mtm180 -59.76 -38.05 80.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 14.8 tpt -60.63 -42.53 97.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.412 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 165' ' ' MET . 14.0 tmm? . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.417 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.2 m -64.4 -42.4 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.736 0.303 . . . . 0.0 110.507 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -47.73 -60.2 2.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.395 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.501 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 81.4 tt0 -52.66 -16.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 110.412 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.75 -43.74 8.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -68.96 -17.39 63.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.566 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 41.5 p-10 -60.9 -43.53 98.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.708 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . 0.566 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -65.71 -36.76 84.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.97 0.414 . . . . 0.0 110.434 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.486 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 65.1 t80 -60.69 -43.46 97.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -62.16 -42.92 99.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.635 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -49.1 -55.31 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -61.14 -44.97 96.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.486 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.486 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 43.1 m-20 -75.19 65.67 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.665 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.9 m -62.58 -41.68 99.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.354 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -56.38 -40.27 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.121 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 97.52 7.12 57.11 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 47.5 p-10 -63.53 -28.2 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.948 0.404 . . . . 0.0 110.405 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 116' ' ' ASP . . . 97.05 2.89 59.18 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.451 ' OE1' ' NH2' ' A' ' 155' ' ' ARG . 98.2 mt-10 -142.85 157.6 44.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.491 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.52 116.0 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p -87.88 -172.69 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.3 p -73.03 -37.9 66.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.516 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.6 m -80.05 -20.53 45.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -76.14 -19.18 58.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.676 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.0 mt -76.27 -23.42 54.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -58.53 -43.99 89.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.247 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.511 ' OE2' ' NH2' ' A' ' 129' ' ' ARG . 69.8 mm-40 -64.04 -42.8 96.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.323 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.43 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.471 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.5 ttm -54.96 -49.0 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.528 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . 0.511 ' NH2' ' OE2' ' A' ' 126' ' ' GLU . 86.1 mtm180 -64.25 -42.02 96.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.912 0.387 . . . . 0.0 111.007 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -64.1 -41.99 97.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.737 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.544 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 64.9 mt . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.945 0.403 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.557 ' OE1' ' N ' ' A' ' 142' ' ' GLU . 56.8 mp0 -91.69 -10.18 41.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.565 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -92.93 -33.17 14.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.766 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 145' ' ' ILE . 21.3 tt -68.17 -40.4 82.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.802 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.4 ' N ' ' CG2' ' A' ' 144' ' ' ILE . 14.0 tt -57.52 -33.12 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.646 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -64.21 -40.45 96.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 99.1 m-20 -62.85 -42.37 99.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.971 0.415 . . . . 0.0 110.49 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.8 t -78.76 -43.3 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.507 ' OD1' ' ND2' ' A' ' 151' ' ' ASN . 51.7 t0 -75.85 57.57 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.883 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 46.3 mt -92.81 30.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.385 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.733 HD21 ' H ' ' A' ' 151' ' ' ASN . 0.0 OUTLIER -124.7 -17.42 5.93 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.76 -179.78 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 82.94 78.67 1.05 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.3 p-10 -157.43 -33.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.578 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 88.54 13.18 63.61 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.451 ' NH2' ' OE1' ' A' ' 118' ' ' GLU . 6.0 ptm180 -152.15 168.9 23.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.412 . . . . 0.0 110.365 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 45.3 t -126.56 113.15 32.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.44 -171.81 3.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.634 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -67.2 -40.91 86.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.766 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -66.87 -45.73 77.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.709 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.49 -38.24 89.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.305 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.58 -47.08 87.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.58 -47.42 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.656 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -54.92 -43.25 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.295 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.5 tpt -60.46 -46.33 90.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 43.5 ttm . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.495 179.819 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.0 -41.14 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.768 0.318 . . . . 0.0 110.42 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -51.7 -49.36 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -55.77 -19.75 12.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.373 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 mt -94.66 -51.17 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.709 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.55 -41.78 95.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.257 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -64.0 -41.26 97.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.452 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.86 88.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.385 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -61.95 -44.73 96.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -53.25 -42.56 66.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.328 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -44.61 -61.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.523 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -61.81 -45.83 92.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 54.9 t0 -82.33 62.17 5.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.528 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.8 m -61.87 -44.78 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.507 ' ND2' ' OE2' ' A' ' 123' ' ' GLU . 10.1 p-10 -60.43 -25.27 65.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.528 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 80.3 22.52 62.65 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 118' ' ' GLU . 44.8 p30 -66.74 -12.51 58.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.547 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 83.31 1.49 90.36 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 17.2 pt-20 -145.71 158.41 43.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.373 . . . . 0.0 110.546 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.29 115.89 50.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.0 p -98.28 -170.88 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.5 p -69.84 -37.62 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.9 p -78.32 -16.39 57.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.425 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 114' ' ' ASN . 76.7 mm-40 -76.29 -11.62 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.54 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 89.0 mt -93.22 -13.76 27.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.416 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.94 -39.82 90.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.433 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -68.35 -43.51 77.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.29 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.561 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 128' ' ' MET . 0.9 OUTLIER -64.93 -39.07 92.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.467 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -61.68 -41.91 98.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.4 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -79.29 -23.43 43.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.449 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.437 -179.789 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.882 0.373 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 22.3 pt-20 -93.51 -12.31 29.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.647 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -95.33 -25.11 16.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.664 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 19.7 tt -64.93 -28.18 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 149' ' ' ASP . 20.2 tt -63.38 -31.24 52.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.631 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -60.77 -42.87 98.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.7 -50.23 73.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.594 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.7 t -73.39 -43.96 55.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.735 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 155' ' ' ARG . 46.0 t0 -88.78 65.91 7.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.816 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 16.4 mt -81.05 22.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 149' ' ' ASP . 10.1 t-20 -93.21 -28.2 16.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.727 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 89.45 7.77 68.99 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.421 ' OD1' ' OD1' ' A' ' 149' ' ' ASP . 39.1 p-10 -89.91 -24.58 21.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 110.684 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.434 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 94.37 3.64 63.01 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.521 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 87.6 mtm-85 -141.61 170.21 16.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 110.64 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.97 113.61 27.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -94.16 -167.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.441 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -67.76 -32.41 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -75.37 -53.63 8.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.771 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.403 ' OE2' ' OD1' ' A' ' 151' ' ' ASN . 93.3 mt-10 -60.14 -31.65 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.79 -46.27 82.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.797 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.0 -39.8 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.736 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.37 -35.66 74.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.745 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 164' ' ' MET . 0.7 OUTLIER -56.92 -47.31 80.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.531 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.532 179.4 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.2 t -41.71 -29.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -68.87 -69.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.747 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -54.29 -20.37 6.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.447 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.3 mp -87.06 -52.33 5.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -61.43 -39.33 90.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.177 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -62.0 -41.92 98.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.47 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.8 95.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.431 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.93 -43.39 98.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -55.68 -43.37 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.56 -54.74 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.628 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' A' ' 117' ' ' GLY . 34.5 t70 -85.97 58.62 5.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.4 m -61.22 -42.64 98.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.557 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.678 ' N ' HD21 ' A' ' 114' ' ' ASN . 0.0 OUTLIER -60.21 -21.3 61.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.528 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.672 ' H ' HD21 ' A' ' 114' ' ' ASN . . . 79.64 20.98 67.43 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.83 -20.27 65.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.459 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 112' ' ' ASP . . . 89.97 -7.27 81.99 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.444 ' O ' ' OE1' ' A' ' 123' ' ' GLU . 95.3 mt-10 -139.8 156.76 46.58 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 120.709 0.29 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.3 mt -109.28 120.15 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.289 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.426 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 5.6 t -97.46 -162.15 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.441 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 p -83.56 -30.78 26.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.3 m -86.84 -19.41 29.01 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.373 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 118' ' ' GLU . 46.7 mt-10 -69.94 -19.07 63.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.734 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.42 -18.32 58.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.585 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.01 -44.89 95.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 126' ' ' GLU . 56.8 mp0 -66.92 -40.54 87.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.461 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.26 95.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.276 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.8 tpp -45.43 -44.33 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.274 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.92 -43.9 97.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -64.84 -43.14 94.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.684 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.306 -179.232 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 73.1 mt . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -76.0 -12.26 60.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.622 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -91.66 -33.42 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.82 -43.71 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.537 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 12.5 tt -54.7 -35.59 33.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.538 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -60.98 -42.55 98.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.588 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -65.91 -49.92 66.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.062 0.458 . . . . 0.0 110.668 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 83.5 t -68.87 -44.52 81.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.485 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' A' ' 151' ' ' ASN . 52.0 t0 -89.66 58.51 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.86 5.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' A' ' 149' ' ' ASP . 20.2 t-20 -66.92 -41.51 86.92 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.453 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 92.0 30.35 10.4 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -129.58 -11.98 4.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.616 0.246 . . . . 0.0 110.652 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.452 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 86.49 11.07 72.37 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.463 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 41.9 ttm180 -135.17 151.28 50.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.764 0.316 . . . . 0.0 110.569 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 3.3 t -133.03 102.55 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.551 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 21.6 t0 -86.21 -153.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.469 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.551 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 92.1 t80 -77.95 -36.18 49.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -75.24 -49.74 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 155' ' ' ARG . 90.3 mt-10 -61.89 -27.39 68.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.455 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.27 -46.85 84.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.97 -32.8 59.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -53.66 -33.15 54.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.421 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.19 -43.09 87.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.476 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 36.2 tpp . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.363 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.7 m -64.03 -38.38 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.695 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 104' ' ' LEU . 88.6 tttt -58.32 -65.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -44.26 -20.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.543 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' LYS . 91.5 mt -95.19 -42.39 8.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -61.24 -35.38 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.564 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -61.98 -43.12 99.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.32 86.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -61.11 -41.2 96.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -62.34 -38.06 88.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.427 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -54.97 -50.94 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -61.88 -43.11 99.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.555 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.556 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 29.4 t0 -77.34 68.7 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.567 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 65.0 m -64.01 -42.3 97.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.493 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.549 HD22 ' CD ' ' A' ' 123' ' ' GLU . 0.9 OUTLIER -61.89 -39.72 92.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.599 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.488 ' N ' ' OD1' ' A' ' 112' ' ' ASP . . . 95.91 12.66 52.25 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 50.6 p-10 -63.37 -20.71 65.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.555 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 94.85 -0.16 64.52 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -144.34 157.39 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.528 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.2 mm -104.93 116.37 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.562 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.71 ' HG ' ' H ' ' A' ' 122' ' ' SER . 4.2 p -93.3 -164.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.538 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' THR . . . . . 0.498 ' N ' ' HG ' ' A' ' 120' ' ' SER . 31.9 p -85.19 -25.44 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.71 ' H ' ' HG ' ' A' ' 120' ' ' SER . 57.1 m -88.25 -19.56 26.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.549 ' CD ' HD22 ' A' ' 114' ' ' ASN . 50.3 mt-10 -70.53 -20.87 62.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.57 -35.02 76.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -48.98 -41.8 35.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.98 -39.07 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 130' ' ' LYS . . . -68.38 -41.82 80.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 85.4 mmm -46.83 -39.85 12.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.397 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -62.71 -27.0 68.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.433 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' ALA . 65.6 tttm -81.03 -33.5 33.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.413 -179.498 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.465 ' C ' ' H ' ' A' ' 143' ' ' GLU . 67.6 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.798 0.332 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -53.76 -9.89 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.567 ' N ' ' OE1' ' A' ' 143' ' ' GLU . 52.2 mp0 -90.78 -36.27 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.45 -42.04 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 146' ' ' ARG . 4.3 tp -61.8 -40.92 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.426 ' N ' ' CG2' ' A' ' 145' ' ' ILE . 79.1 mtp85 -60.37 -45.93 91.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.548 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.21 -49.1 71.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.4 t -68.53 -44.99 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.563 ' C ' ' H ' ' A' ' 151' ' ' ASN . 46.2 t0 -85.54 46.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.01 13.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.563 ' H ' ' C ' ' A' ' 149' ' ' ASP . 26.4 t-20 -79.38 -34.63 41.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.47 37.83 6.07 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 52.1 p-10 -124.82 -20.96 4.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 110.668 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.442 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 93.92 -0.8 67.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.462 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 89.9 mtm-85 -142.26 167.47 22.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 110.61 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.62 108.84 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -91.33 -164.6 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.77 -43.67 92.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -68.7 -53.53 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.592 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 155' ' ' ARG . 93.3 mt-10 -58.3 -32.3 68.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' A' ' 164' ' ' MET . 84.0 t80 -60.57 -47.65 85.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.635 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.49 -41.93 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.67 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -48.85 -23.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.488 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' MET . . . . . 0.513 ' C ' ' SD ' ' A' ' 164' ' ' MET . 3.2 ppp? -59.43 -36.26 75.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' MET . . . . . 0.412 ' N ' ' CG ' ' A' ' 164' ' ' MET . 3.8 mmt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 102' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.0 t -43.86 -20.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.642 0.258 . . . . 0.0 110.529 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 100' ' ' GLY . 63.9 tttp -66.04 -71.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -52.16 -27.71 15.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.447 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mp -78.44 -47.38 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.29 -37.7 87.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.175 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.71 -47.0 88.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.28 98.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.32 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -61.87 -48.07 82.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.51 -38.58 91.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.334 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -51.58 -50.43 60.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.771 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -60.9 -45.95 92.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.763 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -51.44 96.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.506 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.5 m -87.88 -27.4 22.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 49.3 p30 -96.49 -19.43 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.677 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.469 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 77.0 25.65 63.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.445 ' CG ' HD22 ' A' ' 114' ' ' ASN . 36.5 p-10 -77.27 -3.48 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 110.463 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.6 87.85 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -147.87 160.15 43.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.566 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.92 124.42 70.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.262 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 p -117.66 -164.96 1.04 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.621 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 74.6 p -69.4 -43.77 72.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.5 t -66.33 -16.1 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.317 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 116' ' ' ASP . 50.0 mt-10 -94.7 -53.45 3.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.44 -39.29 83.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.413 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -55.75 -43.52 76.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.466 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.18 -19.99 66.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.38 -39.53 17.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 110.533 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 49.9 ttp -47.1 -24.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.405 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.65 -46.83 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.015 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 131' ' ' LEU . 17.0 ptmt -84.91 -40.64 16.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.478 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . 0.474 ' N ' ' CG ' ' A' ' 130' ' ' LYS . 40.1 tp . . . . . 0 C--O 1.232 0.169 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.223 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 15.2 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.814 0.34 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.63 -19.24 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.572 ' N ' ' OE1' ' A' ' 143' ' ' GLU . 57.2 mp0 -86.4 -41.21 14.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.494 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.08 -43.54 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 10.7 tp -62.99 -28.12 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.569 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -60.72 -42.35 97.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.504 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.66 -49.45 76.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.369 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 7.4 t -72.09 -42.83 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 110.639 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 151' ' ' ASN . 33.8 t70 -87.14 59.37 5.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.27 21.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' A' ' 149' ' ' ASP . 11.3 m120 -103.17 -16.13 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 74.19 6.82 75.81 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' A' ' 149' ' ' ASP . 44.2 p-10 -93.45 -21.09 19.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.876 0.37 . . . . 0.0 110.68 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 149' ' ' ASP . . . 83.88 12.68 76.68 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -134.39 146.26 49.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.499 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 53.6 t -119.97 134.19 64.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.358 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -116.6 -169.15 1.57 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -67.17 -44.98 78.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.005 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 160' ' ' GLU . 15.8 pt-20 -65.28 -43.06 92.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.619 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.442 ' N ' ' CG ' ' A' ' 159' ' ' GLU . 83.3 mt-10 -65.92 -32.21 73.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.41 -47.3 86.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.64 -43.25 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -56.19 -42.81 77.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 164' ' ' MET . 0.6 OUTLIER -59.84 -41.11 90.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 179.793 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.9 m -63.12 -36.01 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.608 0.242 . . . . 0.0 110.528 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -61.8 -58.77 6.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.425 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -56.94 -20.02 21.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.952 0.406 . . . . 0.0 110.808 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.1 mt -88.91 -44.59 10.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.418 ' NE ' ' CZ ' ' A' ' 158' ' ' PHE . 29.0 mmt180 -61.04 -36.26 79.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.449 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.75 -45.23 90.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.32 95.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.351 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -62.35 -46.29 89.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.63 -36.86 85.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.03 -47.27 71.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -66.06 -41.07 91.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.507 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.88 72.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.494 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.9 m -62.33 -42.34 99.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.57 -41.48 98.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.245 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.67 8.88 58.02 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.07 -18.83 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.459 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.46 -0.63 58.37 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 118' ' ' GLU . 56.2 mp0 -143.35 158.55 43.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.93 0.395 . . . . 0.0 110.485 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.401 HD11 HG22 ' A' ' 119' ' ' ILE . 18.4 mm -102.81 121.71 54.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.045 0.45 . . . . 0.0 110.496 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.441 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 2.7 m -84.99 -161.15 0.55 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.483 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -89.08 -26.94 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.441 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.3 p -88.64 -20.4 24.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 120' ' ' SER . 46.1 mt-10 -64.76 -22.31 66.96 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.731 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 124' ' ' LEU . 3.9 mm? -69.46 -33.26 72.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 58.4 ttm-85 -55.48 -44.41 76.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.16 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.99 -41.41 97.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.588 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 130' ' ' LYS . . . -66.1 -41.32 90.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.423 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.5 tpp -43.84 -43.06 6.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.444 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.4 ttp85 -64.69 -39.27 93.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.421 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 127' ' ' ALA . 30.3 mmtp -63.62 -43.5 96.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.431 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.74 179.924 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.007 0.432 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 142' ' ' GLU . 49.9 mp0 -92.59 -9.43 41.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.379 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -94.0 -33.55 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.617 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 145' ' ' ILE . 21.0 tt -67.36 -40.4 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 149' ' ' ASP . 10.2 tp -56.91 -39.32 64.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.773 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -63.77 -41.32 97.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.28 -38.08 87.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.576 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.3 t -88.91 -27.6 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.645 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 151' ' ' ASN . 36.4 t70 -90.73 44.15 1.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 58.6 mt -75.17 21.78 0.12 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.589 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.739 HD21 ' H ' ' A' ' 153' ' ' ASP . 0.8 OUTLIER -97.53 -28.54 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.543 -179.66 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 90.37 10.53 63.74 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.739 ' H ' HD21 ' A' ' 151' ' ' ASN . 11.7 m-20 -92.41 -25.43 18.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.456 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 97.34 1.25 59.32 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.428 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 0.0 OUTLIER -147.01 173.24 12.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.336 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.24 112.59 36.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.986 0.422 . . . . 0.0 110.465 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -91.7 -176.68 4.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.418 ' CZ ' ' NE ' ' A' ' 105' ' ' ARG . 69.0 t80 -63.22 -43.73 97.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.565 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.05 -47.73 81.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 151' ' ' ASN . 93.3 mt-10 -64.67 -37.81 88.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.309 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -60.56 -45.56 93.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.74 -48.25 87.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.551 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -54.81 -44.38 73.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.7 tpt -61.09 -45.87 92.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.427 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 59.0 tpp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.43 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.16 -44.75 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 110.54 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -60.35 -59.28 5.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.652 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -51.88 -17.64 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.722 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 58.4 mt -94.18 -48.85 6.01 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.657 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.47 HH12 ' NH1' ' A' ' 109' ' ' ARG . 73.1 ttp85 -63.22 -41.59 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.274 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -64.91 -42.36 94.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.546 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.0 92.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.414 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -63.36 -47.11 83.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.53 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.47 ' NH1' HH12 ' A' ' 105' ' ' ARG . 87.1 mtm180 -59.6 -33.28 71.28 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.402 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -54.5 -55.53 28.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 113' ' ' THR . 92.2 m-85 -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.515 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -60.53 75.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 111' ' ' PHE . 75.6 m -63.41 -43.52 97.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.442 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -64.25 -42.85 96.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.052 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.14 11.41 58.67 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 29.3 p-10 -71.72 -6.35 40.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.963 0.411 . . . . 0.0 110.642 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.27 -0.93 72.43 Favored Glycine 0 N--CA 1.461 0.346 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -138.74 156.81 47.06 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.039 0.447 . . . . 0.0 110.47 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.437 HD12 HG23 ' A' ' 119' ' ' ILE . 17.8 mm -104.99 115.94 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.091 0.472 . . . . 0.0 110.483 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.515 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 15.3 m -90.72 -175.42 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.44 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 56.9 p -71.65 -36.45 70.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.252 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.0 t -76.14 -22.68 55.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.238 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 120' ' ' SER . 44.5 mt-10 -71.56 -21.19 61.92 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.61 -18.45 44.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.625 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.52 -43.9 97.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -66.64 -40.38 88.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.69 -35.75 81.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.343 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -37.82 64.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.2 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -59.53 -46.49 88.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.52 -38.07 68.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.6 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.437 -178.453 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.888 0.375 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.5 -13.32 39.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.61 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -93.41 -30.27 15.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.72 -42.88 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.654 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.9 tp -48.88 -36.71 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.51 -38.17 88.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.607 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 64.9 t0 -59.96 -43.81 94.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.609 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 5.5 t -83.09 -43.27 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.625 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.407 ' OD1' ' OD1' ' A' ' 153' ' ' ASP . 54.2 t0 -72.92 56.3 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.913 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 62.2 mt -92.99 19.44 7.79 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.586 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.513 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 51.9 p-10 -113.21 -27.03 8.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 151' ' ' ASN . . . 94.28 80.1 1.47 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 41.9 p-10 -159.3 -34.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 96.4 -0.54 61.72 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.447 ' O ' ' OD2' ' A' ' 153' ' ' ASP . 99.6 mtt180 -145.38 173.25 12.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.608 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 11.4 t -119.51 114.55 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 121.081 0.467 . . . . 0.0 110.103 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.528 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 28.7 t70 -92.93 -175.41 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.528 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 76.3 t80 -63.98 -43.06 96.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.454 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.72 -44.38 77.75 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.513 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 80.0 tt0 -64.69 -35.63 81.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.351 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.86 -46.17 91.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 78.7 t -63.07 -45.89 97.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.457 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -57.62 -36.09 71.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.475 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 164' ' ' MET . 13.4 tmm? -60.88 -44.56 96.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 32.0 ttm . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.557 179.552 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.21 -43.92 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.501 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -61.19 -47.81 84.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.705 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.53 -17.66 34.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.206 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.3 mt -93.87 -49.91 5.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.499 ' NH1' ' NH2' ' A' ' 109' ' ' ARG . 74.3 ttp85 -61.07 -40.88 95.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.3 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -63.25 -41.93 99.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.26 98.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -62.19 -47.01 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.544 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.499 ' NH2' ' NH1' ' A' ' 105' ' ' ARG . 44.9 ttm180 -61.9 -42.31 98.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.446 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -48.23 -64.28 0.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.757 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.577 ' O ' ' N ' ' A' ' 113' ' ' THR . 66.1 m-85 -57.3 -37.99 73.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.24 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -57.02 75.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 110.67 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.577 ' N ' ' O ' ' A' ' 111' ' ' PHE . 16.6 m -68.85 -33.9 74.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.684 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -69.16 -39.79 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.28 11.81 77.43 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -83.05 -3.23 57.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.622 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.7 14.78 74.89 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.411 ' O ' ' OE1' ' A' ' 123' ' ' GLU . 17.5 pt-20 -150.16 160.22 43.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.609 0.242 . . . . 0.0 110.451 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.7 mt -120.16 117.37 53.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.567 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.5 t -107.19 -168.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.487 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.5 p -66.9 -48.28 69.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.497 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 90.2 p -69.02 -13.08 62.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.214 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 118' ' ' GLU . 57.5 tt0 -95.81 -58.6 2.06 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.295 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.4 tt -49.4 -33.68 14.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.6 ttt-85 -58.57 -44.06 89.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.352 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.49 -32.81 73.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.439 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.12 82.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.466 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 91.8 mtp -63.53 -40.4 96.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.347 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.47 -46.27 90.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.128 0.489 . . . . 0.0 110.188 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -66.03 -33.16 75.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.358 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.564 -178.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 141' ' ' ILE . 95.9 mt . . . . . 0 C--O 1.226 -0.14 0 CA-C-O 120.754 0.311 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -91.19 -9.56 44.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.495 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -93.45 -20.69 20.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.477 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 19.0 tt -66.98 -33.04 60.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.565 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.02 -26.32 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.225 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.03 -43.76 98.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.496 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.17 -49.06 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.582 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 7.5 t -71.43 -44.92 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.666 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 151' ' ' ASN . 33.5 t70 -90.19 71.12 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.699 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 11.9 mt -84.35 22.7 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.538 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 11.4 p30 -108.36 -17.15 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.62 -2.51 78.41 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -73.5 -24.74 60.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.762 0.315 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 85.39 13.09 71.53 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.511 ' NH1' ' OD1' ' A' ' 157' ' ' ASP . 39.2 ptt85 -145.34 160.96 40.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.711 0.291 . . . . 0.0 110.267 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 85.4 t -124.55 129.2 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.386 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.511 ' OD1' ' NH1' ' A' ' 155' ' ' ARG . 89.1 m-20 -105.68 -169.36 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -67.39 -44.62 78.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.784 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 160' ' ' GLU . 14.5 pt-20 -67.04 -43.71 82.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.835 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.538 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 94.8 mt-10 -66.71 -30.58 70.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.414 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.16 -45.18 95.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.544 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.64 -43.0 96.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -38.04 48.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.538 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.1 -44.13 82.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' A' ' 165' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 90.2 t -46.63 -40.0 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.544 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -58.36 -50.65 72.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.605 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.98 -20.11 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 0.0 110.345 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.06 -42.26 11.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -68.46 -23.68 64.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.291 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -71.75 -44.34 64.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.85 97.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.263 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.97 -47.58 85.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.473 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -60.5 -42.97 97.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -61.31 -19.47 61.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.514 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -93.08 -30.98 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.658 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 44.4 t0 -81.87 86.69 6.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.487 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.5 m -63.55 -41.6 98.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.446 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.06 -40.47 96.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.786 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.5 11.79 68.22 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 32.1 p-10 -79.7 -1.99 40.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.797 0.332 . . . . 0.0 110.513 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.53 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 86.18 10.54 74.46 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -141.32 155.69 45.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.737 0.303 . . . . 0.0 110.335 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.433 HG22 HD12 ' A' ' 119' ' ' ILE . 18.8 mm -108.68 120.04 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.964 0.411 . . . . 0.0 110.395 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.505 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 13.5 m -86.1 -171.34 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.325 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 p -75.5 -34.58 60.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.285 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 t -79.93 -25.23 40.57 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 120' ' ' SER . 47.3 mt-10 -68.46 -27.17 65.93 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.777 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 66.2 mt -67.98 -38.89 83.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.858 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -58.31 -43.47 88.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.448 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.29 -39.91 94.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.911 0.386 . . . . 0.0 110.427 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.4 70.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.4 tpt -65.1 -40.57 94.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.389 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -62.86 -44.23 96.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.397 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -71.27 -36.28 71.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.013 0.435 . . . . 0.0 110.614 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 N--CA 1.451 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.655 -179.094 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.417 ' C ' ' H ' ' A' ' 143' ' ' GLU . 59.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.692 0.282 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -53.92 -12.16 0.53 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.417 ' H ' ' C ' ' A' ' 141' ' ' ILE . 83.6 tt0 -94.03 -29.31 15.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.3 -42.85 88.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 13.4 tt -52.47 -34.95 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.573 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -62.57 -42.4 99.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.763 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 64.2 t0 -64.54 -47.13 79.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.606 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.0 t -71.44 -44.9 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.746 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -80.08 72.31 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.668 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 37.6 mt -106.32 22.37 15.86 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 50.5 p30 -119.71 -5.58 10.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.712 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 69.34 69.18 1.44 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.7 p-10 -140.64 -29.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.672 0.273 . . . . 0.0 110.705 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 94.15 -7.4 72.69 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.431 ' O ' ' OD2' ' A' ' 153' ' ' ASP . 84.6 mtt85 -141.55 -173.67 3.83 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.634 0.254 . . . . 0.0 110.475 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.9 t -126.54 114.97 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.357 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -86.79 179.03 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.302 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -64.56 -44.34 91.06 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.604 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -66.48 -44.14 83.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.903 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.531 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 81.6 tt0 -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.93 -46.62 84.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.14 -47.84 91.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.88 0.372 . . . . 0.0 110.652 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -56.21 -42.23 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.007 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 18.1 tpt -63.37 -37.82 88.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.407 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 36.1 ttm . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.339 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.4 -22.55 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.766 0.317 . . . . 0.0 110.46 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.81 -56.77 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -55.2 -15.11 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.508 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.2 mp -94.06 -51.08 5.01 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.31 -42.34 98.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.325 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.88 -40.83 95.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.635 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.53 96.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -54.3 -45.67 72.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -59.32 -40.85 87.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.374 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.89 -22.41 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -90.45 -39.31 12.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.54 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -77.59 84.13 3.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.928 0.394 . . . . 0.0 110.308 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.9 m -65.08 -38.72 91.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.654 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -67.99 -41.11 82.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.92 3.84 73.04 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -63.81 -42.13 97.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 129.96 7.91 3.56 Favored Glycine 0 N--CA 1.465 0.585 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -149.97 159.61 44.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.852 0.358 . . . . 0.0 110.369 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 119' ' ' ILE . 11.4 mm -110.65 115.32 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.498 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.7 p -85.53 176.8 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.594 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.8 p -63.37 -44.4 94.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.389 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 81.9 p -78.39 -18.6 54.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.334 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -73.86 -15.64 61.15 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.352 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.1 mt -75.83 -25.66 56.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -58.56 -42.53 88.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.77 -41.71 95.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.392 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.39 70.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.48 -39.79 95.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -61.45 -44.79 96.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.474 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.57 -34.79 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 59.9 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.643 -179.198 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 76.7 mt . . . . . 0 N--CA 1.46 0.066 0 CA-C-O 120.931 0.396 . . . . 0.0 110.497 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -90.05 -11.25 42.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.418 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.81 -33.1 12.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.702 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 20.0 tt -66.04 -37.79 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.655 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 14.6 tt -55.9 -28.46 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.409 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -59.13 -44.98 92.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.437 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -68.36 -42.6 78.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.438 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.99 -45.87 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 154' ' ' GLY . 40.3 t0 -91.13 82.16 5.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.538 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.5 mt -102.78 24.13 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.745 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.475 ' ND2' ' CD ' ' A' ' 160' ' ' GLU . 4.4 p30 -114.12 -8.15 13.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . 0.437 ' O ' ' OD1' ' A' ' 153' ' ' ASP . . . 68.21 63.57 3.54 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 152' ' ' GLY . 78.9 m-20 -136.36 -21.62 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.314 . . . . 0.0 110.601 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 149' ' ' ASP . . . 84.65 11.85 76.4 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -151.33 -178.27 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.396 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.18 107.17 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -90.49 -171.39 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.39 -46.09 88.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.696 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -69.38 -42.75 74.75 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.475 ' CD ' ' ND2' ' A' ' 151' ' ' ASN . 93.4 mt-10 -65.0 -32.54 74.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.493 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.23 -42.12 98.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.523 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.24 -45.2 93.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.561 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -53.11 -38.52 62.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.251 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 52.7 ttp -62.36 -40.18 95.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 165' ' ' MET . 1.2 tmt? . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.486 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 15.5 m -60.31 -40.24 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.593 0.235 . . . . 0.0 110.494 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -62.46 -52.88 61.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.538 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -61.97 -15.19 41.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.059 0.457 . . . . 0.0 110.524 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.4 mt -93.4 -43.97 8.5 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.663 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -63.02 -38.99 93.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.386 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.21 -43.27 99.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.31 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.23 86.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.524 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 69.6 t80 -60.19 -45.14 94.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -59.63 -32.1 70.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.697 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -56.89 -52.7 64.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' THR . 84.4 m-85 -61.96 -44.68 96.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.524 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 13.0 m-20 -63.28 72.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.752 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 111' ' ' PHE . 13.2 m -65.22 -37.12 86.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.529 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 37.4 p30 -80.33 -30.64 38.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.693 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 85.93 21.7 51.96 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.447 ' CG ' HD22 ' A' ' 114' ' ' ASN . 37.3 p-10 -72.03 -6.74 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.528 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.55 4.47 89.15 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 13.5 pt-20 -150.62 160.73 43.61 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.081 0.467 . . . . 0.0 110.523 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.412 HD11 HG22 ' A' ' 119' ' ' ILE . 16.9 mm -104.42 115.52 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 121.296 0.569 . . . . 0.0 110.377 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.8 p -93.98 -175.88 3.84 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.1 p -68.76 -37.81 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.437 ' O ' ' OE1' ' A' ' 126' ' ' GLU . 32.1 t -78.92 -20.6 48.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.455 ' OE2' ' N ' ' A' ' 113' ' ' THR . 37.5 tp10 -69.7 -25.34 63.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.355 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.1 mt -74.85 -25.42 58.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -60.43 -43.78 96.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.562 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 126' ' ' GLU . 57.4 mp0 -66.47 -37.32 84.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.65 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.65 78.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -36.04 6.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -63.23 -37.44 87.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -83.79 -39.48 19.95 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 47.2 tp . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.519 -179.731 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 141' ' ' ILE . 89.1 mt . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 121.277 0.561 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -82.39 -11.87 58.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.511 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -90.41 -32.11 16.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.616 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.27 -43.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.621 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 20.4 tt -61.08 -37.69 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.411 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 149' ' ' ASP . 44.9 ttm180 -60.21 -30.54 69.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.224 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -72.31 -62.84 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.428 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.12 -47.73 91.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.353 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 146' ' ' ARG . 46.6 t0 -95.7 166.91 11.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.083 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mt 166.63 30.52 0.0 OUTLIER 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.676 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -95.69 -2.53 47.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.832 0.349 . . . . 0.0 110.712 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 69.88 63.77 3.19 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 50.0 p-10 -163.54 -28.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.965 0.412 . . . . 0.0 110.694 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.53 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 83.4 15.64 70.93 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -123.67 137.64 54.68 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.897 0.38 . . . . 0.0 110.569 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 71.5 t -123.5 103.97 13.62 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.475 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . 0.574 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 24.3 t0 -88.63 -157.13 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.574 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 67.6 t80 -76.09 -31.12 58.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.698 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.68 -56.96 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.661 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -60.32 -31.8 70.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.515 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.93 -46.53 84.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.75 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.63 -41.27 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -49.07 -27.43 3.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.63 -44.49 96.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.495 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.176 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 63.6 t -53.32 -19.36 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.674 0.273 . . . . 0.0 110.434 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.73 -71.24 0.15 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.996 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -49.95 -28.64 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.375 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.0 mt -79.69 -44.38 20.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.76 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -63.99 -36.57 84.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.88 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.4 -43.69 85.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.008 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.77 88.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.559 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -60.29 -44.48 95.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.32 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -58.17 -42.12 85.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.414 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -44.79 -61.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.577 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.73 -46.7 88.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.2 60.27 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.455 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.0 m -61.39 -43.56 98.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 32.9 p30 -59.77 -30.29 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 88.12 21.97 43.53 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.517 ' OD2' ' ND2' ' A' ' 114' ' ' ASN . 98.9 m-20 -67.48 -15.81 63.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.538 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 86.36 -3.02 87.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -148.88 159.08 44.51 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 54.8 mt -108.81 121.83 62.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 110.041 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.512 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 4.9 t -96.67 -170.45 2.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.426 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.9 p -70.61 -41.69 71.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.361 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -74.98 -23.4 58.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 120' ' ' SER . 49.8 mt-10 -70.48 -26.69 63.73 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.999 0.428 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.26 -34.65 73.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.872 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.57 -42.35 96.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.627 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -60.84 -43.44 98.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.38 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.1 67.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.766 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.9 ttt -53.05 -43.08 66.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.323 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.39 -48.5 81.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -65.37 -42.34 92.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.565 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.09 -179.583 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 77.0 mt . . . . . 0 N--CA 1.463 0.217 0 CA-C-O 120.743 0.306 . . . . 0.0 110.859 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.65 -9.7 58.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.603 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.72 -33.2 15.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.573 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.92 -43.41 97.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 20.7 tt -61.83 -36.73 75.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.45 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -60.41 -42.4 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.55 -24.58 66.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.428 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 87.3 t -91.6 -48.24 13.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 151' ' ' ASN . 98.1 m-20 -76.94 49.52 0.66 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.75 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.04 23.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.649 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.534 HD22 ' CD ' ' A' ' 160' ' ' GLU . 18.0 p30 -129.29 0.87 5.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.823 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 71.94 70.96 1.12 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.446 ' OD2' ' OE2' ' A' ' 160' ' ' GLU . 98.3 m-20 -136.12 -44.76 0.64 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 91.96 1.35 70.35 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . 0.425 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 88.9 mtm180 -143.37 166.69 24.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 110.49 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.64 118.79 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.434 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -100.1 -168.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.253 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -64.52 -44.72 89.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.725 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -66.86 -47.95 70.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.045 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.534 ' CD ' HD22 ' A' ' 151' ' ' ASN . 89.8 mt-10 -64.25 -34.57 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.417 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -61.14 -43.35 99.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.62 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.28 -44.89 96.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.652 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . 0.412 HH21 ' CG ' ' A' ' 160' ' ' GLU . 90.9 mtm-85 -60.94 -38.54 86.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.3 ttt -60.1 -47.37 86.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.808 0.337 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 179.773 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.671 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.3 m -62.42 -33.78 61.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 110.503 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -59.23 -67.58 0.36 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.76 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -52.32 -14.88 0.51 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.0 mt -90.47 -46.2 8.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.679 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.533 ' NH1' ' CG ' ' A' ' 158' ' ' PHE . 15.5 tpt180 -62.1 -38.75 90.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.419 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 106' ' ' ASP . 64.1 t0 -62.67 -39.06 92.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.9 82.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.285 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.85 -49.97 75.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.438 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -67.13 -37.29 83.57 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.408 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -63.7 -12.58 35.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.159 0.504 . . . . 0.0 110.317 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.54 -8.29 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.769 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 114' ' ' ASN . 39.4 t0 -88.08 96.45 10.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.897 0.38 . . . . 0.0 110.244 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 m -63.65 -41.1 98.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 28.6 p30 -83.74 -14.6 51.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.663 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 58.95 38.05 92.13 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 114' ' ' ASN . 49.1 p-10 -99.31 5.5 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.69 0.281 . . . . 0.0 110.315 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 82.19 11.59 82.09 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -140.49 154.64 46.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.873 0.368 . . . . 0.0 110.286 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.2 mt -118.64 117.0 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.023 0.439 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.497 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 4.8 p -95.68 -171.79 2.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.586 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.0 p -69.25 -40.82 77.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.397 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.8 p -74.65 -17.01 60.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.443 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' ' 120' ' ' SER . 50.6 mt-10 -80.82 -14.07 58.38 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.497 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 89.4 mt -91.87 -21.3 20.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.663 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -63.93 -42.21 97.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.11 -40.25 86.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.79 -40.01 76.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 28.3 ttt -54.86 -39.01 68.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.232 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -62.92 -45.37 92.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.503 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -67.72 -46.9 70.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.996 0.427 . . . . 0.0 110.609 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 53.7 tp . . . . . 0 N--CA 1.452 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.724 179.817 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 7.3 mm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.061 0.458 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -88.71 -17.33 30.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.387 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -90.4 -39.85 12.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.384 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 144' ' ' ILE . 95.6 mt -63.97 -43.38 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 149' ' ' ASP . 6.2 tp -57.56 -39.14 67.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.607 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.91 -44.85 95.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.621 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.93 -44.82 79.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.728 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.439 ' O ' ' SD ' ' A' ' 164' ' ' MET . 59.5 t -73.23 -51.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.483 ' OD2' ' CA ' ' A' ' 154' ' ' GLY . 44.3 t0 -85.26 69.5 10.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.858 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -82.35 10.23 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.451 ' OD1' ' OD1' ' A' ' 153' ' ' ASP . 3.4 t-20 -84.82 -29.31 25.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.676 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 88.95 2.59 77.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 153' ' ' ASP . 0.6 OUTLIER -81.05 -18.24 47.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.525 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . 0.483 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 85.93 3.54 85.42 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -141.6 173.19 11.73 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.943 0.401 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.12 115.43 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -94.1 -167.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.39 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . 0.533 ' CG ' ' NH1' ' A' ' 105' ' ' ARG . 53.6 t80 -64.75 -42.96 94.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.649 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.23 -54.37 38.42 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.72 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 151' ' ' ASN . 90.4 mt-10 -61.98 -33.82 75.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.456 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -60.68 -47.22 87.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.59 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.5 -46.03 87.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.586 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -57.32 -44.76 84.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.516 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 148' ' ' VAL . 31.4 mmt -67.07 -36.31 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' MET . . . . . 0.495 ' O ' ' SD ' ' A' ' 165' ' ' MET . 2.9 tmm? . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.448 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.34 -18.7 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.29 -51.03 67.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.51 -14.5 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.996 0.427 . . . . 0.0 110.604 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mp -92.39 -44.23 8.81 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.276 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ARG . . . . . 0.632 ' NH2' ' NH2' ' A' ' 109' ' ' ARG . 59.0 ttt85 -60.97 -38.0 84.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.789 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -62.72 -44.22 96.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.18 90.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.362 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PHE . . . . . 0.478 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 81.1 t80 -61.03 -44.59 97.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.448 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ARG . . . . . 0.632 ' NH2' ' NH2' ' A' ' 105' ' ' ARG . 77.7 mmt-85 -58.6 -33.04 69.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -55.34 -51.42 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.732 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -62.03 -47.01 86.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.885 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ASP . . . . . 0.478 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 78.7 m-20 -77.95 69.0 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.621 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.0 m -62.13 -42.58 99.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASN . . . . . 0.792 HD21 ' H ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -63.01 -30.61 71.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLY . . . . . 0.792 ' H ' HD21 ' A' ' 114' ' ' ASN . . . 87.23 18.98 56.54 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 31.9 p-10 -65.62 -18.7 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.489 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.12 -4.48 74.46 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' GLU . . . . . 0.406 ' O ' ' OD2' ' A' ' 116' ' ' ASP . 11.6 pt-20 -143.65 158.23 43.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.374 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 65.6 mt -107.19 113.48 43.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 110.007 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.2 m -94.35 -171.2 2.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.1 p -70.66 -41.71 71.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 62.1 p -74.17 -23.77 59.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.658 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -68.83 -23.86 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.618 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.82 -35.93 79.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.786 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -57.17 -42.42 81.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.419 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.93 -38.17 82.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.73 77.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.368 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.2 ttm -49.5 -43.44 45.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.254 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -62.79 -44.99 94.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.505 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -64.7 -39.99 94.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.495 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 -179.733 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 143' ' ' GLU . 16.1 mm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -54.63 -11.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.386 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 141' ' ' ILE . 84.9 tt0 -86.97 -38.72 16.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.71 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.49 -43.47 94.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 149' ' ' ASP . 15.4 tt -61.02 -35.19 63.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.48 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -65.44 -41.04 93.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 57.4 t0 -63.09 -35.22 79.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' VAL . . . . . 0.45 ' C ' ' H ' ' A' ' 150' ' ' LEU . 35.5 t -91.15 -45.05 14.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.68 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 151' ' ' ASN . 28.2 t70 -71.7 44.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 148' ' ' VAL . 68.4 mt -76.42 23.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.029 0.442 . . . . 0.0 110.334 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ASN . . . . . 0.502 ' H ' ' C ' ' A' ' 149' ' ' ASP . 15.7 m120 -106.31 -3.4 21.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.694 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 62.18 61.79 6.3 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 153' ' ' ASP . 18.7 p-10 -150.41 -28.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.664 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 87.03 11.96 69.04 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -135.95 150.6 49.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.0 0.428 . . . . 0.0 110.391 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 74.5 t -126.25 106.43 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.57 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -89.15 -168.85 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.496 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.43 -36.85 82.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.658 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.72 -52.0 62.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.939 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.16 -32.19 73.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.59 -47.7 84.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.409 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.24 -43.74 88.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -56.16 -43.26 78.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.216 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 14.8 tpt -58.07 -47.04 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.229 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 51.1 ttp . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.245 -179.831 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.9 mt 53.18 94.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.591 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.425 ' O ' ' OE2' ' A' ' 103' ' ' GLU . . . 153.65 -78.83 0.2 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.43 -23.1 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.741 0.305 . . . . 0.0 110.53 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -56.98 -72.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.471 ' OE2' ' N ' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -58.75 -20.37 48.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.539 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.471 ' N ' ' OE2' ' A' ' 103' ' ' GLU . 0.2 OUTLIER -67.51 -54.01 23.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -65.37 -22.64 66.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.99 -46.01 75.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.73 -37.24 86.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.65 -45.68 91.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.404 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -60.74 -42.54 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' A' ' 113' ' ' THR . 41.7 tp10 -46.0 -62.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -61.49 -46.07 91.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.773 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 115' ' ' GLY . 10.9 t70 -82.75 51.15 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 110' ' ' GLU . 89.3 m -64.26 -44.6 91.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.629 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 38.9 p-10 -60.33 -42.11 94.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.411 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.584 ' C ' ' H ' ' A' ' 117' ' ' GLY . . . 126.8 -137.19 9.82 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 70.77 -22.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.703 0.287 . . . . 0.0 110.426 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 115' ' ' GLY . . . 74.38 14.8 80.59 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 18.9 pt-20 -150.07 159.46 44.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.54 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.6 mt -110.33 125.82 67.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.647 ' HG ' ' NH1' ' A' ' 155' ' ' ARG . 5.8 m -98.48 -167.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.559 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 p -76.05 -35.8 59.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.682 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.6 m -80.84 -17.47 50.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.524 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' A' ' 120' ' ' SER . 49.9 mt-10 -77.43 -70.94 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.642 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.19 -32.67 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.437 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.536 ' NH2' ' OE2' ' A' ' 142' ' ' GLU . 43.2 ttm180 -61.38 -43.83 98.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.61 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -62.54 -26.26 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -84.56 -31.09 24.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 9.9 mmt -59.7 -39.91 86.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.296 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.32 -44.17 92.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.385 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.21 -41.43 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.405 HD11 ' N ' ' A' ' 131' ' ' LEU . 7.1 mp -62.22 -42.93 99.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.72 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.6 mp -83.62 -46.89 11.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.792 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 148.28 -95.62 0.17 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -153.06 127.52 9.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.66 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -138.63 111.37 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.778 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.94 -44.58 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.721 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.474 ' O ' ' NH1' ' A' ' 139' ' ' ARG . . . -123.1 -130.3 3.63 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 46.53 88.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.948 0.404 . . . . 0.0 110.614 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.474 ' NH1' ' O ' ' A' ' 137' ' ' GLY . 82.5 mmt-85 -101.6 126.91 48.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.57 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 139' ' ' ARG . 63.7 m-20 -161.88 13.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.424 HD13 ' H ' ' A' ' 141' ' ' ILE . 3.4 mp -69.42 -26.79 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.709 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.536 ' OE2' ' NH2' ' A' ' 125' ' ' ARG . 69.4 mm-40 -50.88 -15.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 141' ' ' ILE . 95.3 mt-10 -90.91 -37.97 13.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.594 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.419 HD11 HG23 ' A' ' 144' ' ' ILE . 96.4 mt -64.04 -44.09 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.607 -179.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 7.2 tp -55.82 -36.66 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 79.7 mtp85 -65.77 -38.77 89.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.586 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.464 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 14.9 m-20 -62.44 -40.06 95.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.403 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.8 t -79.91 -42.64 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -77.99 56.77 1.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.728 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 39.1 mt -88.62 12.15 15.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.414 HD22 ' NH2' ' A' ' 163' ' ' ARG . 7.5 m120 -102.16 -15.03 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.634 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.1 -8.08 58.5 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.7 p-10 -69.04 -26.25 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.552 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 88.17 1.63 81.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.647 ' NH1' ' HG ' ' A' ' 120' ' ' SER . 96.1 mtt-85 -143.74 169.97 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.651 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.25 122.46 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.548 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.42 ' OD1' ' CB ' ' A' ' 160' ' ' GLU . 49.6 p-10 -98.0 -160.43 0.8 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.546 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -74.1 -44.54 53.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 159' ' ' GLU . 58.9 mp0 -67.6 -45.53 75.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.42 ' CB ' ' OD1' ' A' ' 157' ' ' ASP . 78.1 tt0 -61.99 -35.02 77.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.466 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 161' ' ' PHE . 33.8 t80 -59.21 -45.53 90.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.15 -45.99 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.722 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . 0.414 ' NH2' HD22 ' A' ' 151' ' ' ASN . 89.1 mtm180 -59.76 -38.05 80.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 14.8 tpt -60.63 -42.53 97.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.412 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 165' ' ' MET . 14.0 tmm? -65.64 -36.12 82.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.417 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 33.4 m -71.25 149.61 46.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.598 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 45.7 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.402 HD11 HG21 ' A' ' 99' ' ' ILE . 90.3 mt -96.63 125.28 49.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.324 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 123.61 -126.77 6.32 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 31.2 m -64.4 -42.4 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.736 0.303 . . . . 0.0 110.507 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 69.5 mmtt -47.73 -60.2 2.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.395 -179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.501 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 81.4 tt0 -52.66 -16.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 110.412 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.75 -43.74 8.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -68.96 -17.39 63.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.566 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 41.5 p-10 -60.9 -43.53 98.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.708 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.566 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -65.71 -36.76 84.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.97 0.414 . . . . 0.0 110.434 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.486 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 65.1 t80 -60.69 -43.46 97.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -62.16 -42.92 99.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.635 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -49.1 -55.31 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -61.14 -44.97 96.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.486 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.486 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 43.1 m-20 -75.19 65.67 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.665 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.9 m -62.58 -41.68 99.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.354 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -56.38 -40.27 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.121 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 97.52 7.12 57.11 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 47.5 p-10 -63.53 -28.2 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.948 0.404 . . . . 0.0 110.405 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 116' ' ' ASP . . . 97.05 2.89 59.18 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.451 ' OE1' ' NH2' ' A' ' 155' ' ' ARG . 98.2 mt-10 -142.85 157.6 44.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.491 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.52 116.0 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p -87.88 -172.69 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.3 p -73.03 -37.9 66.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.516 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.6 m -80.05 -20.53 45.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -76.14 -19.18 58.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.676 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.0 mt -76.27 -23.42 54.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -58.53 -43.99 89.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.247 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.511 ' OE2' ' NH2' ' A' ' 129' ' ' ARG . 69.8 mm-40 -64.04 -42.8 96.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.323 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.43 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.471 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.5 ttm -54.96 -49.0 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.528 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.511 ' NH2' ' OE2' ' A' ' 126' ' ' GLU . 86.1 mtm180 -64.25 -42.02 96.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.912 0.387 . . . . 0.0 111.007 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -64.1 -41.99 97.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.737 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.3 tp -63.59 -42.61 98.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.544 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.1 tp 64.62 14.9 9.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.683 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -80.24 -130.04 0.86 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -76.07 131.53 39.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.398 . . . . 0.0 110.616 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.447 ' O ' ' O ' ' A' ' 136' ' ' VAL . 26.1 pt20 -153.1 -28.04 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.631 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 135' ' ' GLN . 21.7 t 55.21 161.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.678 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -61.02 -37.02 93.19 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -77.65 147.8 35.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.749 0.309 . . . . 0.0 110.569 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -63.32 133.95 54.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.468 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -137.9 20.92 2.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.53 -28.7 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.557 ' OE1' ' N ' ' A' ' 142' ' ' GLU . 56.8 mp0 -91.69 -10.18 41.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.565 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -92.93 -33.17 14.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.766 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 145' ' ' ILE . 21.3 tt -68.17 -40.4 82.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.802 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.4 ' N ' ' CG2' ' A' ' 144' ' ' ILE . 14.0 tt -57.52 -33.12 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.646 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -64.21 -40.45 96.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 99.1 m-20 -62.85 -42.37 99.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.971 0.415 . . . . 0.0 110.49 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.8 t -78.76 -43.3 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.507 ' OD1' ' ND2' ' A' ' 151' ' ' ASN . 51.7 t0 -75.85 57.57 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.883 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 46.3 mt -92.81 30.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.385 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.733 HD21 ' H ' ' A' ' 151' ' ' ASN . 0.0 OUTLIER -124.7 -17.42 5.93 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.76 -179.78 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 82.94 78.67 1.05 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.3 p-10 -157.43 -33.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.578 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 88.54 13.18 63.61 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.451 ' NH2' ' OE1' ' A' ' 118' ' ' GLU . 6.0 ptm180 -152.15 168.9 23.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.412 . . . . 0.0 110.365 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 45.3 t -126.56 113.15 32.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.44 -171.81 3.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.634 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -67.2 -40.91 86.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.766 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -66.87 -45.73 77.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.709 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.49 -38.24 89.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.305 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.58 -47.08 87.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.58 -47.42 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.656 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -54.92 -43.25 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.295 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.5 tpt -60.46 -46.33 90.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 43.5 ttm -65.36 -39.38 92.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.495 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 96.3 p -74.95 159.09 32.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.498 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.531 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mp -127.32 127.83 69.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.802 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.47 -119.65 5.19 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.0 -41.14 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.768 0.318 . . . . 0.0 110.42 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -51.7 -49.36 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -55.77 -19.75 12.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.373 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 mt -94.66 -51.17 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.709 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.55 -41.78 95.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.257 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -64.0 -41.26 97.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.452 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.86 88.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.385 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -61.95 -44.73 96.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -53.25 -42.56 66.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.328 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -44.61 -61.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.523 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -61.81 -45.83 92.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.438 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 54.9 t0 -82.33 62.17 5.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.528 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.8 m -61.87 -44.78 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 114' ' ' ASN . 10.1 p-10 -60.43 -25.27 65.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.528 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 80.3 22.52 62.65 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 118' ' ' GLU . 44.8 p30 -66.74 -12.51 58.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.547 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.438 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 83.31 1.49 90.36 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 17.2 pt-20 -145.71 158.41 43.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.373 . . . . 0.0 110.546 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.29 115.89 50.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.0 p -98.28 -170.88 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.5 p -69.84 -37.62 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.9 p -78.32 -16.39 57.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.425 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -76.29 -11.62 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.54 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 89.0 mt -93.22 -13.76 27.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.416 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.94 -39.82 90.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.433 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -68.35 -43.51 77.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.29 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.561 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 128' ' ' MET . 0.9 OUTLIER -64.93 -39.07 92.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.467 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -61.68 -41.91 98.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.4 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -79.29 -23.43 43.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.449 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.36 -37.41 85.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.437 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 60.63 16.79 6.88 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.417 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.72 96.62 0.85 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -67.22 -38.54 85.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.724 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -55.34 -30.07 59.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.721 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.6 t -75.67 130.85 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.597 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -70.57 140.56 32.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.414 ' O ' ' CD1' ' A' ' 141' ' ' ILE . 62.4 t-80 -67.63 -46.1 73.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.84 0.352 . . . . 0.0 110.772 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 -67.11 -38.53 85.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.625 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.702 ' C ' ' H ' ' A' ' 142' ' ' GLU . 92.3 m-20 -59.75 -101.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 138' ' ' HIS . 80.9 mt 61.26 -15.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.601 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.702 ' H ' ' C ' ' A' ' 140' ' ' ASP . 22.3 pt-20 -93.51 -12.31 29.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.647 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -95.33 -25.11 16.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.664 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 19.7 tt -64.93 -28.18 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 149' ' ' ASP . 20.2 tt -63.38 -31.24 52.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.631 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -60.77 -42.87 98.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.7 -50.23 73.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.594 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.7 t -73.39 -43.96 55.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.735 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 155' ' ' ARG . 46.0 t0 -88.78 65.91 7.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.816 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 16.4 mt -81.05 22.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.418 ' H ' ' C ' ' A' ' 149' ' ' ASP . 10.1 t-20 -93.21 -28.2 16.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.727 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 89.45 7.77 68.99 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 153' ' ' ASP . 39.1 p-10 -89.91 -24.58 21.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 110.684 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.434 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 94.37 3.64 63.01 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.521 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 87.6 mtm-85 -141.61 170.21 16.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 110.64 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.97 113.61 27.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -94.16 -167.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.441 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -67.76 -32.41 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -75.37 -53.63 8.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.771 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.4 ' OE2' ' OD1' ' A' ' 151' ' ' ASN . 93.3 mt-10 -60.14 -31.65 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.79 -46.27 82.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.797 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.0 -39.8 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.736 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.37 -35.66 74.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.745 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 164' ' ' MET . 0.7 OUTLIER -56.92 -47.31 80.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.531 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 60.9 mtt -68.26 -36.02 78.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.532 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.9 t -59.96 -44.1 94.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.43 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.5 ptp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.8 pt -129.19 163.37 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.582 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.96 -129.55 9.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.2 t -41.71 -29.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -68.87 -69.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.747 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -54.29 -20.37 6.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.447 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.3 mp -87.06 -52.33 5.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -61.43 -39.33 90.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.177 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -62.0 -41.92 98.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.47 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.8 95.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.431 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.93 -43.39 98.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -55.68 -43.37 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.56 -54.74 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.628 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' A' ' 117' ' ' GLY . 34.5 t70 -85.97 58.62 5.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.4 m -61.22 -42.64 98.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.557 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.678 ' N ' HD21 ' A' ' 114' ' ' ASN . 0.0 OUTLIER -60.21 -21.3 61.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.528 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.672 ' H ' HD21 ' A' ' 114' ' ' ASN . . . 79.64 20.98 67.43 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.83 -20.27 65.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.459 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 112' ' ' ASP . . . 89.97 -7.27 81.99 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.444 ' O ' ' OE1' ' A' ' 123' ' ' GLU . 95.3 mt-10 -139.8 156.76 46.58 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 120.709 0.29 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.3 mt -109.28 120.15 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.289 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.426 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 5.6 t -97.46 -162.15 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.441 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 p -83.56 -30.78 26.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.3 m -86.84 -19.41 29.01 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.373 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 118' ' ' GLU . 46.7 mt-10 -69.94 -19.07 63.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.734 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.42 -18.32 58.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.585 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.01 -44.89 95.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 126' ' ' GLU . 56.8 mp0 -66.92 -40.54 87.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.461 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.26 95.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.276 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.8 tpp -45.43 -44.33 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.274 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.92 -43.9 97.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -64.84 -43.14 94.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.684 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.3 tp -61.39 -41.63 97.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.306 -179.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 tp 51.53 16.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.723 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -53.71 163.29 2.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -76.2 -16.8 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.532 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -59.08 142.91 50.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.513 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.4 m -113.63 132.4 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.548 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -159.29 101.6 0.2 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.633 ' C ' ' H ' ' A' ' 140' ' ' ASP . 79.4 m80 -103.97 126.42 51.07 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.591 0.234 . . . . 0.0 110.534 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 63.64 -13.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.633 ' H ' ' C ' ' A' ' 138' ' ' HIS . 25.9 t70 -84.44 -98.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.448 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 73.1 mt 59.65 -3.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.623 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.6 ' H ' ' C ' ' A' ' 140' ' ' ASP . 95.7 mt-10 -76.0 -12.26 60.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.622 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -91.66 -33.42 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.82 -43.71 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.537 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 12.5 tt -54.7 -35.59 33.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.538 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -60.98 -42.55 98.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.588 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -65.91 -49.92 66.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.062 0.458 . . . . 0.0 110.668 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 83.5 t -68.87 -44.52 81.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.485 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.495 ' C ' ' H ' ' A' ' 151' ' ' ASN . 52.0 t0 -89.66 58.51 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.86 5.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' A' ' 149' ' ' ASP . 20.2 t-20 -66.92 -41.51 86.92 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.453 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 92.0 30.35 10.4 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -129.58 -11.98 4.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.616 0.246 . . . . 0.0 110.652 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.452 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 86.49 11.07 72.37 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.463 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 41.9 ttm180 -135.17 151.28 50.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.764 0.316 . . . . 0.0 110.569 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 3.3 t -133.03 102.55 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.551 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 21.6 t0 -86.21 -153.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.469 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.551 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 92.1 t80 -77.95 -36.18 49.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -75.24 -49.74 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.89 -27.39 68.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.455 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.27 -46.85 84.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.97 -32.8 59.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -53.66 -33.15 54.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.421 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.19 -43.09 87.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.476 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 36.2 tpp -65.19 -37.3 86.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.363 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.0 t -71.04 143.0 50.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.555 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.679 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' A' ' 98' ' ' MET . 2.4 mpt? . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.426 ' H ' HD13 ' A' ' 99' ' ' ILE . 3.5 mp -64.43 -45.11 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.605 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.13 -39.56 2.63 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 28.7 m -64.03 -38.38 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.695 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 104' ' ' LEU . 88.6 tttt -58.32 -65.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -44.26 -20.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.543 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' LYS . 91.5 mt -95.19 -42.39 8.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -61.24 -35.38 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.564 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -61.98 -43.12 99.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.32 86.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -61.11 -41.2 96.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -62.34 -38.06 88.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.427 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -54.97 -50.94 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -61.88 -43.11 99.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.555 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.556 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 29.4 t0 -77.34 68.7 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.567 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 65.0 m -64.01 -42.3 97.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.493 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.549 HD22 ' CD ' ' A' ' 123' ' ' GLU . 0.9 OUTLIER -61.89 -39.72 92.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.599 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.488 ' N ' ' OD1' ' A' ' 112' ' ' ASP . . . 95.91 12.66 52.25 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 50.6 p-10 -63.37 -20.71 65.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.555 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 94.85 -0.16 64.52 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -144.34 157.39 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.528 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.2 mm -104.93 116.37 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.562 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.71 ' HG ' ' H ' ' A' ' 122' ' ' SER . 4.2 p -93.3 -164.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.538 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' THR . . . . . 0.498 ' N ' ' HG ' ' A' ' 120' ' ' SER . 31.9 p -85.19 -25.44 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.71 ' H ' ' HG ' ' A' ' 120' ' ' SER . 57.1 m -88.25 -19.56 26.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.549 ' CD ' HD22 ' A' ' 114' ' ' ASN . 50.3 mt-10 -70.53 -20.87 62.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.57 -35.02 76.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -48.98 -41.8 35.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.98 -39.07 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 130' ' ' LYS . . . -68.38 -41.82 80.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 85.4 mmm -46.83 -39.85 12.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.397 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.451 ' O ' ' CD2' ' A' ' 132' ' ' LEU . 83.9 mtt85 -62.71 -27.0 68.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' ALA . 65.6 tttm -81.03 -33.5 33.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.522 ' C ' ' H ' ' A' ' 133' ' ' GLY . 10.9 mp -61.59 -42.95 99.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.413 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.451 ' CD2' ' O ' ' A' ' 129' ' ' ARG . 71.3 mt 45.81 14.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.501 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.522 ' H ' ' C ' ' A' ' 131' ' ' LEU . . . -66.05 -43.35 93.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.605 ' HD1' ' N ' ' A' ' 134' ' ' HIS . 2.6 p-80 -173.27 121.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.709 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -99.23 83.94 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.756 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.02 -45.39 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.622 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 100.5 -25.69 27.38 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.586 ' ND1' ' N ' ' A' ' 139' ' ' ARG . 60.7 t-80 -87.23 171.76 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.604 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.586 ' N ' ' ND1' ' A' ' 138' ' ' HIS . 90.1 mtm180 -70.46 128.69 37.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.677 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.408 ' C ' ' OE1' ' A' ' 143' ' ' GLU . 41.1 t0 -166.37 2.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.611 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.465 ' C ' ' H ' ' A' ' 143' ' ' GLU . 67.6 mt -73.17 -41.23 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -53.76 -9.89 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.567 ' N ' ' OE1' ' A' ' 143' ' ' GLU . 52.2 mp0 -90.78 -36.27 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.45 -42.04 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.426 ' CG2' ' N ' ' A' ' 146' ' ' ARG . 4.3 tp -61.8 -40.92 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.426 ' N ' ' CG2' ' A' ' 145' ' ' ILE . 79.1 mtp85 -60.37 -45.93 91.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.548 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.21 -49.1 71.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.4 t -68.53 -44.99 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.563 ' C ' ' H ' ' A' ' 151' ' ' ASN . 46.2 t0 -85.54 46.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.01 13.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.563 ' H ' ' C ' ' A' ' 149' ' ' ASP . 26.4 t-20 -79.38 -34.63 41.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.47 37.83 6.07 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 52.1 p-10 -124.82 -20.96 4.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 110.668 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.442 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 93.92 -0.8 67.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.462 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 89.9 mtm-85 -142.26 167.47 22.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 110.61 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.62 108.84 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -91.33 -164.6 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.77 -43.67 92.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -68.7 -53.53 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.592 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 155' ' ' ARG . 93.3 mt-10 -58.3 -32.3 68.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' A' ' 164' ' ' MET . 84.0 t80 -60.57 -47.65 85.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.635 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.49 -41.93 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.67 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -48.85 -23.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.488 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' MET . . . . . 0.513 ' C ' ' SD ' ' A' ' 164' ' ' MET . 3.2 ppp? -59.43 -36.26 75.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' MET . . . . . 0.412 ' N ' ' CG ' ' A' ' 164' ' ' MET . 3.8 mmt -66.08 -37.76 86.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.6 t -61.61 -42.44 98.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 64.2 ttm-85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.625 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.0 mmm . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.3 tt -53.37 146.38 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 102' ' ' LYS . . . 103.55 -104.45 2.5 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.0 t -43.86 -20.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.642 0.258 . . . . 0.0 110.529 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 100' ' ' GLY . 63.9 tttp -66.04 -71.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -52.16 -27.71 15.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.447 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.9 mp -78.44 -47.38 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.29 -37.7 87.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.175 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.71 -47.0 88.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.28 98.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.32 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -61.87 -48.07 82.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.51 -38.58 91.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.334 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -51.58 -50.43 60.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.771 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -60.9 -45.95 92.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.763 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -51.44 96.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.506 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.5 m -87.88 -27.4 22.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.469 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 49.3 p30 -96.49 -19.43 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.677 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.469 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 77.0 25.65 63.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.445 ' CG ' HD22 ' A' ' 114' ' ' ASN . 36.5 p-10 -77.27 -3.48 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 110.463 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.6 87.85 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' 'CA ' ' A' ' 302' ' ' ' CA' . 12.5 pt-20 -147.87 160.15 43.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.566 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.92 124.42 70.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.262 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 p -117.66 -164.96 1.04 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.621 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 74.6 p -69.4 -43.77 72.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.5 t -66.33 -16.1 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.317 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 116' ' ' ASP . 50.0 mt-10 -94.7 -53.45 3.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.44 -39.29 83.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.413 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -55.75 -43.52 76.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.466 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.18 -19.99 66.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.38 -39.53 17.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 110.533 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 49.9 ttp -47.1 -24.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.405 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.65 -46.83 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.015 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 131' ' ' LEU . 17.0 ptmt -84.91 -40.64 16.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.478 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 133' ' ' GLY . 40.1 tp -63.14 -49.0 76.1 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.223 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 tp 43.54 16.0 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 131' ' ' LEU . . . -62.23 -38.98 97.09 Favored Glycine 0 CA--C 1.519 0.318 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -103.26 94.06 5.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.895 0.379 . . . . 0.0 110.717 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -69.23 -42.76 75.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.427 ' C ' ' H ' ' A' ' 138' ' ' HIS . 23.0 m -83.48 23.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -62.83 -3.44 5.91 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.427 ' H ' ' C ' ' A' ' 136' ' ' VAL . 97.0 m-70 56.26 170.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.685 0.279 . . . . 0.0 110.568 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -65.94 -37.86 87.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.605 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 143' ' ' GLU . 90.7 m-20 -75.67 117.08 17.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.537 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 15.2 mm -85.72 -12.43 11.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.63 -19.24 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.572 ' N ' ' OE1' ' A' ' 143' ' ' GLU . 57.2 mp0 -86.4 -41.21 14.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.494 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.08 -43.54 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 10.7 tp -62.99 -28.12 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.569 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -60.72 -42.35 97.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.504 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.66 -49.45 76.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.369 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 7.4 t -72.09 -42.83 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 110.639 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.511 ' C ' ' H ' ' A' ' 151' ' ' ASN . 33.8 t70 -87.14 59.37 5.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.27 21.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.511 ' H ' ' C ' ' A' ' 149' ' ' ASP . 11.3 m120 -103.17 -16.13 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 74.19 6.82 75.81 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' A' ' 149' ' ' ASP . 44.2 p-10 -93.45 -21.09 19.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.876 0.37 . . . . 0.0 110.68 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 149' ' ' ASP . . . 83.88 12.68 76.68 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -134.39 146.26 49.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.499 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 53.6 t -119.97 134.19 64.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.358 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -116.6 -169.15 1.57 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -67.17 -44.98 78.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.005 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 160' ' ' GLU . 15.8 pt-20 -65.28 -43.06 92.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.619 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.442 ' N ' ' CG ' ' A' ' 159' ' ' GLU . 83.3 mt-10 -65.92 -32.21 73.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.41 -47.3 86.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.64 -43.25 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -56.19 -42.81 77.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 164' ' ' MET . 0.6 OUTLIER -59.84 -41.11 90.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 26.3 ttt -61.48 -43.46 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 167' ' ' ARG . 36.9 t -61.0 -43.83 98.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 166' ' ' SER . 74.4 ttp85 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.488 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . 0.691 'CA ' ' O ' ' A' ' 118' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.606 ' N ' ' SD ' ' A' ' 98' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.2 mt 50.15 91.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.74 -84.97 0.12 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.9 m -63.12 -36.01 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.608 0.242 . . . . 0.0 110.528 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -61.8 -58.77 6.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.425 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -56.94 -20.02 21.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.952 0.406 . . . . 0.0 110.808 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.1 mt -88.91 -44.59 10.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.418 ' NE ' ' CZ ' ' A' ' 158' ' ' PHE . 29.0 mmt180 -61.04 -36.26 79.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.449 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.75 -45.23 90.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.32 95.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.351 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -62.35 -46.29 89.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.63 -36.86 85.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.03 -47.27 71.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -66.06 -41.07 91.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.507 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.88 72.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.494 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.9 m -62.33 -42.34 99.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.57 -41.48 98.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.245 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.67 8.88 58.02 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.07 -18.83 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.459 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.46 -0.63 58.37 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 118' ' ' GLU . 56.2 mp0 -143.35 158.55 43.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.93 0.395 . . . . 0.0 110.485 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.401 HD11 HG22 ' A' ' 119' ' ' ILE . 18.4 mm -102.81 121.71 54.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.045 0.45 . . . . 0.0 110.496 -179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.441 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 2.7 m -84.99 -161.15 0.55 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.483 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -89.08 -26.94 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.441 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.3 p -88.64 -20.4 24.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.441 ' CD ' ' H ' ' A' ' 120' ' ' SER . 46.1 mt-10 -64.76 -22.31 66.96 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.731 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.502 ' CD2' ' N ' ' A' ' 124' ' ' LEU . 3.9 mm? -69.46 -33.26 72.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 58.4 ttm-85 -55.48 -44.41 76.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.16 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.99 -41.41 97.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.588 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 130' ' ' LYS . . . -66.1 -41.32 90.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.423 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.5 tpp -43.84 -43.06 6.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.444 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.543 ' O ' ' N ' ' A' ' 133' ' ' GLY . 74.4 ttp85 -64.69 -39.27 93.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.421 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 127' ' ' ALA . 30.3 mmtp -63.62 -43.5 96.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.431 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 11.1 mp -62.32 -42.88 99.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.74 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' A' ' 134' ' ' HIS . 10.5 mp -87.03 -14.7 40.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.438 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.543 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . 69.15 -10.53 1.72 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.521 ' H ' ' C ' ' A' ' 132' ' ' LEU . 80.6 m80 -153.33 154.23 34.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.563 0.22 . . . . 0.0 110.558 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 134' ' ' HIS . 96.1 mt-30 57.02 141.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.159 0.504 . . . . 0.0 110.804 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 19.3 m -66.46 -40.61 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.566 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 126.1 156.61 9.31 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -67.6 -56.85 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.718 0.294 . . . . 0.0 110.683 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.464 ' CG ' ' H ' ' A' ' 140' ' ' ASP . 15.7 tpp180 -172.75 -127.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.464 ' H ' ' CG ' ' A' ' 139' ' ' ARG . 98.6 m-20 54.14 18.79 1.88 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.548 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 67.0 mt -73.8 -24.72 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.452 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.501 ' N ' ' OE1' ' A' ' 142' ' ' GLU . 49.9 mp0 -92.59 -9.43 41.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.379 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -94.0 -33.55 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.617 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 145' ' ' ILE . 21.0 tt -67.36 -40.4 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 149' ' ' ASP . 10.2 tp -56.91 -39.32 64.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.773 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 62.2 ttp180 -63.77 -41.32 97.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.28 -38.08 87.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.576 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.3 t -88.91 -27.6 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.645 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.526 ' C ' ' H ' ' A' ' 151' ' ' ASN . 36.4 t70 -90.73 44.15 1.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 58.6 mt -75.17 21.78 0.12 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.589 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.739 HD21 ' H ' ' A' ' 153' ' ' ASP . 0.8 OUTLIER -97.53 -28.54 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.543 -179.66 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 90.37 10.53 63.74 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.739 ' H ' HD21 ' A' ' 151' ' ' ASN . 11.7 m-20 -92.41 -25.43 18.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.456 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 97.34 1.25 59.32 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.428 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 0.0 OUTLIER -147.01 173.24 12.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.336 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.24 112.59 36.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.986 0.422 . . . . 0.0 110.465 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -91.7 -176.68 4.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.418 ' CZ ' ' NE ' ' A' ' 105' ' ' ARG . 69.0 t80 -63.22 -43.73 97.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.565 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.05 -47.73 81.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 151' ' ' ASN . 93.3 mt-10 -64.67 -37.81 88.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.309 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -60.56 -45.56 93.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.74 -48.25 87.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.551 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -54.81 -44.38 73.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.7 tpt -61.09 -45.87 92.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.427 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 59.0 tpp -66.61 -41.04 89.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.43 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 83.3 p -74.82 159.22 32.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.485 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.476 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 52.7 ttp . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.1 145.71 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.439 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.84 -88.86 1.08 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.16 -44.75 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 110.54 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -60.35 -59.28 5.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.652 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -51.88 -17.64 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.722 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 58.4 mt -94.18 -48.85 6.01 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.657 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.47 HH12 ' NH1' ' A' ' 109' ' ' ARG . 73.1 ttp85 -63.22 -41.59 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.274 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -64.91 -42.36 94.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.546 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.0 92.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.414 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -63.36 -47.11 83.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.53 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.47 ' NH1' HH12 ' A' ' 105' ' ' ARG . 87.1 mtm180 -59.6 -33.28 71.28 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.402 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -54.5 -55.53 28.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 113' ' ' THR . 92.2 m-85 -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.515 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -60.53 75.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 111' ' ' PHE . 75.6 m -63.41 -43.52 97.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.442 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.446 ' HB2' 'CA ' ' A' ' 302' ' ' ' CA' . 24.5 m120 -64.25 -42.85 96.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.052 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.14 11.41 58.67 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 29.3 p-10 -71.72 -6.35 40.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.963 0.411 . . . . 0.0 110.642 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.27 -0.93 72.43 Favored Glycine 0 N--CA 1.461 0.346 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -138.74 156.81 47.06 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.039 0.447 . . . . 0.0 110.47 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.437 HD12 HG23 ' A' ' 119' ' ' ILE . 17.8 mm -104.99 115.94 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.091 0.472 . . . . 0.0 110.483 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.515 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 15.3 m -90.72 -175.42 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.44 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 56.9 p -71.65 -36.45 70.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.252 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.0 t -76.14 -22.68 55.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.238 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.515 ' CD ' ' H ' ' A' ' 120' ' ' SER . 44.5 mt-10 -71.56 -21.19 61.92 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.61 -18.45 44.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.625 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.52 -43.9 97.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -66.64 -40.38 88.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.69 -35.75 81.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.343 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -37.82 64.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.2 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -59.53 -46.49 88.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.52 -38.07 68.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.72 -52.45 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.437 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 38.3 mt -143.69 -48.58 0.3 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.845 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 163.05 -144.23 9.38 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.574 ' CG ' ' N ' ' A' ' 135' ' ' GLN . 85.5 t60 -152.44 166.68 31.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.879 0.371 . . . . 0.0 110.665 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.574 ' N ' ' CG ' ' A' ' 134' ' ' HIS . 55.9 tt0 56.53 70.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.2 p -142.58 146.97 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 42.23 -100.24 0.02 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 140' ' ' ASP . 50.0 p-80 -147.55 165.38 30.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.635 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -52.93 89.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.437 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 138' ' ' HIS . 35.4 p-10 -99.59 0.85 43.01 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.528 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.02 -43.31 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.5 -13.32 39.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.61 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -93.41 -30.27 15.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.72 -42.88 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.654 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 8.9 tp -48.88 -36.71 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 87.5 mtm180 -65.51 -38.17 88.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.607 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 64.9 t0 -59.96 -43.81 94.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.609 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 5.5 t -83.09 -43.27 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.625 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -72.92 56.3 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.913 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 62.2 mt -92.99 19.44 7.79 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.586 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.513 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 51.9 p-10 -113.21 -27.03 8.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 151' ' ' ASN . . . 94.28 80.1 1.47 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 41.9 p-10 -159.3 -34.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 96.4 -0.54 61.72 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.447 ' O ' ' OD2' ' A' ' 153' ' ' ASP . 99.6 mtt180 -145.38 173.25 12.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.608 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 11.4 t -119.51 114.55 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 121.081 0.467 . . . . 0.0 110.103 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.528 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 28.7 t70 -92.93 -175.41 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.528 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 76.3 t80 -63.98 -43.06 96.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.454 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.72 -44.38 77.75 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.513 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 80.0 tt0 -64.69 -35.63 81.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.351 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.86 -46.17 91.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 78.7 t -63.07 -45.89 97.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.457 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . 0.438 ' O ' ' OG ' ' A' ' 166' ' ' SER . 17.8 mmm180 -57.62 -36.09 71.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.475 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 164' ' ' MET . 13.4 tmm? -60.88 -44.56 96.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 32.0 ttm -68.39 -38.73 81.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.557 179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 163' ' ' ARG . 88.8 p -60.92 -35.57 77.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.374 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.613 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . 0.446 'CA ' ' HB2' ' A' ' 114' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.512 ' SD ' ' N ' ' A' ' 98' ' ' MET . 2.1 mpt? . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.2 pt -130.12 161.94 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.967 0.413 . . . . 0.0 110.68 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.99 -83.85 1.6 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.21 -43.92 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.501 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -61.19 -47.81 84.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.705 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.53 -17.66 34.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.206 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.3 mt -93.87 -49.91 5.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.499 ' NH1' ' NH2' ' A' ' 109' ' ' ARG . 74.3 ttp85 -61.07 -40.88 95.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.3 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -63.25 -41.93 99.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.26 98.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -62.19 -47.01 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.544 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.499 ' NH2' ' NH1' ' A' ' 105' ' ' ARG . 44.9 ttm180 -61.9 -42.31 98.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.446 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -48.23 -64.28 0.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.757 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.577 ' O ' ' N ' ' A' ' 113' ' ' THR . 66.1 m-85 -57.3 -37.99 73.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.24 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -57.02 75.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 110.67 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.577 ' N ' ' O ' ' A' ' 111' ' ' PHE . 16.6 m -68.85 -33.9 74.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.684 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -69.16 -39.79 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.28 11.81 77.43 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -83.05 -3.23 57.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.622 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.7 14.78 74.89 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -150.16 160.22 43.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.609 0.242 . . . . 0.0 110.451 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.7 mt -120.16 117.37 53.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.567 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.5 t -107.19 -168.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.487 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.5 p -66.9 -48.28 69.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.497 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 90.2 p -69.02 -13.08 62.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.214 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -95.81 -58.6 2.06 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.295 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 1.4 tt -49.4 -33.68 14.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 -179.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.6 ttt-85 -58.57 -44.06 89.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.352 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.49 -32.81 73.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.439 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.12 82.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.466 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 91.8 mtp -63.53 -40.4 96.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.347 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 133' ' ' GLY . 61.9 ttp180 -60.47 -46.27 90.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.128 0.489 . . . . 0.0 110.188 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -66.03 -33.16 75.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.358 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.16 -43.96 97.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.564 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.8 mt -131.52 -49.3 0.98 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.706 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . 91.26 6.84 66.09 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -152.68 134.92 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.559 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -98.31 148.0 24.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.94 -34.02 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.625 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 156.59 121.89 0.72 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.609 ' ND1' ' N ' ' A' ' 139' ' ' ARG . 55.2 t-80 43.27 -110.4 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.741 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.609 ' N ' ' ND1' ' A' ' 138' ' ' HIS . 56.6 ttp180 59.53 138.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -76.07 137.47 40.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.409 ' O ' ' CG2' ' A' ' 141' ' ' ILE . 95.9 mt -104.73 -3.69 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.507 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -91.19 -9.56 44.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.495 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -93.45 -20.69 20.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.477 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 19.0 tt -66.98 -33.04 60.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.565 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 19.2 tt -62.02 -26.32 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.225 -179.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.03 -43.76 98.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.496 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.17 -49.06 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.582 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 7.5 t -71.43 -44.92 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.666 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 151' ' ' ASN . 33.5 t70 -90.19 71.12 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.699 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 11.9 mt -84.35 22.7 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.538 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 11.4 p30 -108.36 -17.15 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.62 -2.51 78.41 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -73.5 -24.74 60.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.762 0.315 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 85.39 13.09 71.53 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.511 ' NH1' ' OD1' ' A' ' 157' ' ' ASP . 39.2 ptt85 -145.34 160.96 40.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.711 0.291 . . . . 0.0 110.267 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 85.4 t -124.55 129.2 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.386 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.511 ' OD1' ' NH1' ' A' ' 155' ' ' ARG . 89.1 m-20 -105.68 -169.36 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -67.39 -44.62 78.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.784 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 160' ' ' GLU . 14.5 pt-20 -67.04 -43.71 82.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.835 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.538 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 94.8 mt-10 -66.71 -30.58 70.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.414 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.16 -45.18 95.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.544 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.64 -43.0 96.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -38.04 48.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.538 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.1 -44.13 82.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' A' ' 165' ' ' MET . 0.0 OUTLIER -64.15 -40.64 96.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.298 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 34.1 t -71.15 146.89 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.551 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.51 -43.76 98.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.43 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 159.77 -42.64 0.45 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 90.2 t -46.63 -40.0 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.544 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -58.36 -50.65 72.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.605 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.98 -20.11 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 0.0 110.345 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.06 -42.26 11.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -68.46 -23.68 64.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.291 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -71.75 -44.34 64.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.85 97.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.263 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.97 -47.58 85.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.473 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -60.5 -42.97 97.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -61.31 -19.47 61.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.514 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -93.08 -30.98 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.658 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 44.4 t0 -81.87 86.69 6.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.487 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.5 m -63.55 -41.6 98.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.446 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.06 -40.47 96.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.786 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.5 11.79 68.22 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 32.1 p-10 -79.7 -1.99 40.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.797 0.332 . . . . 0.0 110.513 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.53 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 86.18 10.54 74.46 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -141.32 155.69 45.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.737 0.303 . . . . 0.0 110.335 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.433 HG22 HD12 ' A' ' 119' ' ' ILE . 18.8 mm -108.68 120.04 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.964 0.411 . . . . 0.0 110.395 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.505 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 13.5 m -86.1 -171.34 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.325 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 p -75.5 -34.58 60.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.285 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 t -79.93 -25.23 40.57 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' A' ' 120' ' ' SER . 47.3 mt-10 -68.46 -27.17 65.93 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.777 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 66.2 mt -67.98 -38.89 83.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.858 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.678 ' HE ' ' NE2' ' A' ' 135' ' ' GLN . 79.1 ttt-85 -58.31 -43.47 88.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.448 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.29 -39.91 94.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.911 0.386 . . . . 0.0 110.427 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.4 70.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.4 tpt -65.1 -40.57 94.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.389 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 133' ' ' GLY . 62.6 ttp180 -62.86 -44.23 96.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.397 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -71.27 -36.28 71.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.013 0.435 . . . . 0.0 110.614 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.12 -46.02 92.28 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.655 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 72.3 mt -96.15 -25.43 15.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.482 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . 88.92 -2.16 83.91 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -151.64 142.3 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.643 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.678 ' NE2' ' HE ' ' A' ' 125' ' ' ARG . 62.0 tt0 -71.55 119.25 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.654 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 78.4 t -64.45 -45.01 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.685 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 176.63 143.01 4.59 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -65.75 -40.56 92.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.344 . . . . 0.0 110.619 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -57.7 -32.27 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.555 ' CG ' ' H ' ' A' ' 141' ' ' ILE . 29.4 t0 -74.8 -148.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.241 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.555 ' H ' ' CG ' ' A' ' 140' ' ' ASP . 59.5 mt 64.39 -63.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 O-C-N 123.58 0.55 . . . . 0.0 110.4 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 140' ' ' ASP . 12.7 pt-20 -53.92 -12.16 0.53 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.417 ' H ' ' C ' ' A' ' 141' ' ' ILE . 83.6 tt0 -94.03 -29.31 15.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.3 -42.85 88.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 13.4 tt -52.47 -34.95 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.573 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -62.57 -42.4 99.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.763 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 64.2 t0 -64.54 -47.13 79.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.606 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.0 t -71.44 -44.9 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.746 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -80.08 72.31 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.668 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 37.6 mt -106.32 22.37 15.86 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 50.5 p30 -119.71 -5.58 10.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.712 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 69.34 69.18 1.44 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.7 p-10 -140.64 -29.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.672 0.273 . . . . 0.0 110.705 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 94.15 -7.4 72.69 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.431 ' O ' ' OD2' ' A' ' 153' ' ' ASP . 84.6 mtt85 -141.55 -173.67 3.83 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.634 0.254 . . . . 0.0 110.475 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.9 t -126.54 114.97 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.357 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -86.79 179.03 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.302 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -64.56 -44.34 91.06 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.604 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -66.48 -44.14 83.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.903 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.531 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 81.6 tt0 -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.93 -46.62 84.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.14 -47.84 91.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.88 0.372 . . . . 0.0 110.652 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -56.21 -42.23 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.007 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 18.1 tpt -63.37 -37.82 88.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.407 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 36.1 ttm -64.17 -18.69 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 30.7 t -61.66 -42.72 99.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.56 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.583 -179.831 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.413 HD13 HG23 ' A' ' 99' ' ' ILE . 39.7 mm -63.3 -44.29 99.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.51 6.74 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.4 -22.55 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.766 0.317 . . . . 0.0 110.46 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.81 -56.77 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -55.2 -15.11 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.508 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.2 mp -94.06 -51.08 5.01 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.31 -42.34 98.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.325 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.88 -40.83 95.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.635 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.53 96.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -54.3 -45.67 72.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -59.32 -40.85 87.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.374 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.89 -22.41 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -90.45 -39.31 12.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.54 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -77.59 84.13 3.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.928 0.394 . . . . 0.0 110.308 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.9 m -65.08 -38.72 91.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.654 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -67.99 -41.11 82.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.92 3.84 73.04 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -63.81 -42.13 97.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 129.96 7.91 3.56 Favored Glycine 0 N--CA 1.465 0.585 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -149.97 159.61 44.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.852 0.358 . . . . 0.0 110.369 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.405 HG21 HD11 ' A' ' 119' ' ' ILE . 11.4 mm -110.65 115.32 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.498 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.7 p -85.53 176.8 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.594 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 20.8 p -63.37 -44.4 94.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.389 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 81.9 p -78.39 -18.6 54.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.334 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -73.86 -15.64 61.15 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.352 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.1 mt -75.83 -25.66 56.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -58.56 -42.53 88.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.77 -41.71 95.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.392 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.39 70.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.48 -39.79 95.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 133' ' ' GLY . 44.0 ttm180 -61.45 -44.79 96.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.474 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.57 -34.79 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.26 -43.99 97.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.643 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 56.8 tp -132.4 -47.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . 52.33 98.64 0.01 OUTLIER Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 136' ' ' VAL . 28.6 p-80 -145.92 81.27 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.655 0.264 . . . . 0.0 110.693 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 53.89 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 134' ' ' HIS . 27.1 m -125.06 158.98 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.457 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -94.13 112.88 4.42 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -66.34 -40.79 90.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.731 0.3 . . . . 0.0 110.568 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -79.35 143.5 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -66.76 133.65 50.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 76.7 mt -83.72 -14.24 11.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -90.05 -11.25 42.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.418 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.81 -33.1 12.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.702 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 20.0 tt -66.04 -37.79 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.655 -179.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 14.6 tt -55.9 -28.46 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.409 -179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -59.13 -44.98 92.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.437 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -68.36 -42.6 78.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.438 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 89.1 t -67.99 -45.87 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.516 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 154' ' ' GLY . 40.3 t0 -91.13 82.16 5.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.538 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.5 mt -102.78 24.13 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.745 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -114.12 -8.15 13.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . 0.437 ' O ' ' OD1' ' A' ' 153' ' ' ASP . . . 68.21 63.57 3.54 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 152' ' ' GLY . 78.9 m-20 -136.36 -21.62 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.314 . . . . 0.0 110.601 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 149' ' ' ASP . . . 84.65 11.85 76.4 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -151.33 -178.27 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.396 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.18 107.17 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -90.49 -171.39 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.39 -46.09 88.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.696 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -69.38 -42.75 74.75 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.433 ' OE2' ' OD2' ' A' ' 153' ' ' ASP . 93.4 mt-10 -65.0 -32.54 74.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.493 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.23 -42.12 98.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.523 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.24 -45.2 93.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.561 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -53.11 -38.52 62.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.251 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 52.7 ttp -62.36 -40.18 95.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 179.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 165' ' ' MET . 1.2 tmt? -62.61 -37.49 86.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.486 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 66.7 m -59.86 -44.13 94.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.619 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--O 1.218 -0.601 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.591 179.879 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . 0.494 ' N ' ' SD ' ' A' ' 98' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 39.5 pt -129.76 162.8 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.83 -87.15 1.55 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 15.5 m -60.31 -40.24 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.593 0.235 . . . . 0.0 110.494 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -62.46 -52.88 61.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.538 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -61.97 -15.19 41.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.059 0.457 . . . . 0.0 110.524 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.4 mt -93.4 -43.97 8.5 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.663 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -63.02 -38.99 93.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.386 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.21 -43.27 99.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.31 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.23 86.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.524 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 69.6 t80 -60.19 -45.14 94.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -59.63 -32.1 70.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.697 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -56.89 -52.7 64.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' THR . 84.4 m-85 -61.96 -44.68 96.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.524 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 13.0 m-20 -63.28 72.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.752 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 111' ' ' PHE . 13.2 m -65.22 -37.12 86.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.529 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 37.4 p30 -80.33 -30.64 38.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.693 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 85.93 21.7 51.96 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.447 ' CG ' HD22 ' A' ' 114' ' ' ASN . 37.3 p-10 -72.03 -6.74 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.528 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.55 4.47 89.15 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 13.5 pt-20 -150.62 160.73 43.61 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.081 0.467 . . . . 0.0 110.523 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.412 HD11 HG22 ' A' ' 119' ' ' ILE . 16.9 mm -104.42 115.52 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 121.296 0.569 . . . . 0.0 110.377 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.8 p -93.98 -175.88 3.84 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.1 p -68.76 -37.81 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.437 ' O ' ' OE1' ' A' ' 126' ' ' GLU . 32.1 t -78.92 -20.6 48.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.455 ' OE2' ' N ' ' A' ' 113' ' ' THR . 37.5 tp10 -69.7 -25.34 63.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.355 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.1 mt -74.85 -25.42 58.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -60.43 -43.78 96.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.562 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . 0.451 ' OE1' ' N ' ' A' ' 126' ' ' GLU . 57.4 mp0 -66.47 -37.32 84.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.65 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.65 78.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -36.04 6.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . 0.45 ' O ' ' CD2' ' A' ' 132' ' ' LEU . 96.1 mtt-85 -63.23 -37.44 87.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -83.79 -39.48 19.95 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.483 ' C ' ' H ' ' A' ' 133' ' ' GLY . 47.2 tp -62.02 -43.17 99.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.519 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.45 ' CD2' ' O ' ' A' ' 129' ' ' ARG . 75.8 mt 46.23 15.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.38 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.483 ' H ' ' C ' ' A' ' 131' ' ' LEU . . . -64.0 -36.48 93.32 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 135' ' ' GLN . 78.4 m80 -135.25 168.03 19.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.892 0.377 . . . . 0.0 110.574 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 134' ' ' HIS . 76.5 mt-30 -42.0 -95.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.721 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.6 m -149.52 21.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.605 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 96.78 105.94 2.31 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -61.26 -44.49 97.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.512 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -93.92 -88.76 0.23 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.508 ' C ' ' H ' ' A' ' 142' ' ' GLU . 33.6 p-10 -158.0 42.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.729 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 141' ' ' ILE . 89.1 mt 51.81 10.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.277 0.561 . . . . 0.0 110.721 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.508 ' H ' ' C ' ' A' ' 140' ' ' ASP . 73.8 tt0 -82.39 -11.87 58.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -90.41 -32.11 16.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.616 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.27 -43.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.621 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 20.4 tt -61.08 -37.69 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.411 -179.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 149' ' ' ASP . 44.9 ttm180 -60.21 -30.54 69.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.224 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -72.31 -62.84 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.428 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.12 -47.73 91.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.353 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 146' ' ' ARG . 46.6 t0 -95.7 166.91 11.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.083 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mt 166.63 30.52 0.0 OUTLIER 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.676 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -95.69 -2.53 47.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.832 0.349 . . . . 0.0 110.712 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 69.88 63.77 3.19 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 50.0 p-10 -163.54 -28.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.965 0.412 . . . . 0.0 110.694 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.53 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 83.4 15.64 70.93 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -123.67 137.64 54.68 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.897 0.38 . . . . 0.0 110.569 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 71.5 t -123.5 103.97 13.62 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.475 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . 0.574 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 24.3 t0 -88.63 -157.13 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.574 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 67.6 t80 -76.09 -31.12 58.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.698 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.68 -56.96 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.661 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -60.32 -31.8 70.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.515 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.93 -46.53 84.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.75 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.63 -41.27 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.582 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . 0.416 ' O ' ' OG ' ' A' ' 166' ' ' SER . 30.6 mmt180 -49.07 -27.43 3.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 -179.364 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.63 -44.49 96.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.495 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -41.92 98.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.176 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 166' ' ' SER . . . . . 0.416 ' OG ' ' O ' ' A' ' 163' ' ' ARG . 77.7 p -62.81 -39.63 94.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.987 0.422 . . . . 0.0 110.449 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . 0.411 ' N ' ' HG ' ' A' ' 166' ' ' SER . 85.4 mtp180 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.508 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.0 pt -139.7 -1.28 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.702 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.83 -168.15 42.24 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 63.6 t -53.32 -19.36 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.674 0.273 . . . . 0.0 110.434 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.73 -71.24 0.15 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.996 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -49.95 -28.64 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.375 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.0 mt -79.69 -44.38 20.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.76 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -63.99 -36.57 84.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.88 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.4 -43.69 85.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.008 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.77 88.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.559 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -60.29 -44.48 95.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.32 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -58.17 -42.12 85.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.414 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -44.79 -61.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.577 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.73 -46.7 88.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.2 60.27 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.455 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.0 m -61.39 -43.56 98.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 32.9 p30 -59.77 -30.29 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 88.12 21.97 43.53 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.517 ' OD2' ' ND2' ' A' ' 114' ' ' ASN . 98.9 m-20 -67.48 -15.81 63.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.538 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 86.36 -3.02 87.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -148.88 159.08 44.51 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 54.8 mt -108.81 121.83 62.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 110.041 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.512 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 4.9 t -96.67 -170.45 2.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.426 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.9 p -70.61 -41.69 71.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.361 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -74.98 -23.4 58.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 120' ' ' SER . 49.8 mt-10 -70.48 -26.69 63.73 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.999 0.428 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.26 -34.65 73.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.872 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.57 -42.35 96.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.627 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -60.84 -43.44 98.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.38 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.1 67.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.766 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.9 ttt -53.05 -43.08 66.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.323 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.39 -48.5 81.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -65.37 -42.34 92.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.565 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.12 -47.52 84.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.09 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.14 -43.5 78.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.02 0.438 . . . . 0.0 110.748 -179.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 134.37 -129.95 5.39 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -86.71 -11.68 50.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.729 0.3 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -89.48 163.91 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.3 t -121.63 131.39 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.508 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -70.64 143.43 36.86 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -102.78 1.33 34.09 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.61 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.79 159.9 32.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.615 ' C ' ' H ' ' A' ' 142' ' ' GLU . 33.8 p30 -67.62 -16.05 63.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.604 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 77.0 mt 60.17 -6.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.859 -179.497 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . 0.615 ' H ' ' C ' ' A' ' 140' ' ' ASP . 95.8 mt-10 -73.65 -9.7 58.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.603 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.72 -33.2 15.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.573 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.92 -43.41 97.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 20.7 tt -61.83 -36.73 75.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.45 -179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 77.4 ttt180 -60.41 -42.4 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.55 -24.58 66.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.428 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 87.3 t -91.6 -48.24 13.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.525 ' C ' ' H ' ' A' ' 151' ' ' ASN . 98.1 m-20 -76.94 49.52 0.66 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.75 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.04 23.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.649 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.534 HD22 ' CD ' ' A' ' 160' ' ' GLU . 18.0 p30 -129.29 0.87 5.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.823 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 71.94 70.96 1.12 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.446 ' OD2' ' OE2' ' A' ' 160' ' ' GLU . 98.3 m-20 -136.12 -44.76 0.64 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 91.96 1.35 70.35 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . 0.425 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 88.9 mtm180 -143.37 166.69 24.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 110.49 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.64 118.79 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.434 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -100.1 -168.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.253 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -64.52 -44.72 89.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.725 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -66.86 -47.95 70.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.045 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.534 ' CD ' HD22 ' A' ' 151' ' ' ASN . 89.8 mt-10 -64.25 -34.57 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.417 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -61.14 -43.35 99.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.62 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.28 -44.89 96.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.652 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . 0.412 HH21 ' CG ' ' A' ' 160' ' ' GLU . 90.9 mtm-85 -60.94 -38.54 86.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.3 ttt -60.1 -47.37 86.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.808 0.337 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 97.6 mmm -68.65 -37.36 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 49.1 m -59.23 -42.69 91.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.494 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.303 -179.768 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 77.6 mtm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.442 HG23 HD11 ' A' ' 99' ' ' ILE . 38.8 mm -114.44 127.66 71.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.448 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 128.06 -100.88 0.54 Allowed Glycine 0 N--CA 1.466 0.671 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 4.3 m -62.42 -33.78 61.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 110.503 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -59.23 -67.58 0.36 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.76 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -52.32 -14.88 0.51 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.0 mt -90.47 -46.2 8.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.679 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.533 ' NH1' ' CG ' ' A' ' 158' ' ' PHE . 15.5 tpt180 -62.1 -38.75 90.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.419 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 106' ' ' ASP . 64.1 t0 -62.67 -39.06 92.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.9 82.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.285 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.85 -49.97 75.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.438 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -67.13 -37.29 83.57 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.408 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -63.7 -12.58 35.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.159 0.504 . . . . 0.0 110.317 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.54 -8.29 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.769 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 116' ' ' ASP . 39.4 t0 -88.08 96.45 10.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.897 0.38 . . . . 0.0 110.244 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 m -63.65 -41.1 98.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 28.6 p30 -83.74 -14.6 51.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.663 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 58.95 38.05 92.13 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 114' ' ' ASN . 49.1 p-10 -99.31 5.5 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.69 0.281 . . . . 0.0 110.315 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 82.19 11.59 82.09 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.629 ' O ' 'CA ' ' A' ' 302' ' ' ' CA' . 79.5 mt-10 -140.49 154.64 46.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.873 0.368 . . . . 0.0 110.286 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.2 mt -118.64 117.0 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.023 0.439 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.497 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 4.8 p -95.68 -171.79 2.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.586 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.0 p -69.25 -40.82 77.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.397 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.8 p -74.65 -17.01 60.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.443 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.497 ' CD ' ' H ' ' A' ' 120' ' ' SER . 50.6 mt-10 -80.82 -14.07 58.38 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.497 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 89.4 mt -91.87 -21.3 20.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.663 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -63.93 -42.21 97.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.11 -40.25 86.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.79 -40.01 76.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 28.3 ttt -54.86 -39.01 68.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.232 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -62.92 -45.37 92.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.503 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -67.72 -46.9 70.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.996 0.427 . . . . 0.0 110.609 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . 0.462 ' C ' ' H ' ' A' ' 133' ' ' GLY . 53.7 tp -64.95 -41.96 95.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.724 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 tp 61.91 3.3 0.9 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.806 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . 0.462 ' H ' ' C ' ' A' ' 131' ' ' LEU . . . -83.89 167.11 43.63 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 41.39 80.55 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -82.85 63.96 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.062 0.458 . . . . 0.0 110.357 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.0 p -146.55 146.67 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.451 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 79.0 20.52 70.13 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -68.52 -2.78 9.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.658 0.266 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . 0.414 ' O ' ' OD1' ' A' ' 140' ' ' ASP . 94.9 mtt-85 -62.75 -45.45 92.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.563 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 139' ' ' ARG . 62.2 m-20 -162.12 16.46 0.09 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.651 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 7.3 mm 54.73 31.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.427 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -88.71 -17.33 30.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.387 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -90.4 -39.85 12.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.384 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . 0.411 HG23 HD11 ' A' ' 144' ' ' ILE . 95.6 mt -63.97 -43.38 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.426 ' O ' ' N ' ' A' ' 149' ' ' ASP . 6.2 tp -57.56 -39.14 67.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.607 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 82.8 mtp180 -61.91 -44.85 95.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.621 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.93 -44.82 79.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.728 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.439 ' O ' ' SD ' ' A' ' 164' ' ' MET . 59.5 t -73.23 -51.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.483 ' OD2' ' CA ' ' A' ' 154' ' ' GLY . 44.3 t0 -85.26 69.5 10.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.858 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -82.35 10.23 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.451 ' OD1' ' OD1' ' A' ' 153' ' ' ASP . 3.4 t-20 -84.82 -29.31 25.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.676 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 88.95 2.59 77.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 153' ' ' ASP . 0.6 OUTLIER -81.05 -18.24 47.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.525 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . 0.483 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 85.93 3.54 85.42 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -141.6 173.19 11.73 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.943 0.401 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.12 115.43 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -94.1 -167.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.39 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . 0.533 ' CG ' ' NH1' ' A' ' 105' ' ' ARG . 53.6 t80 -64.75 -42.96 94.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.649 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.23 -54.37 38.42 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.72 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 151' ' ' ASN . 90.4 mt-10 -61.98 -33.82 75.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.456 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -60.68 -47.22 87.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.59 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.5 -46.03 87.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.586 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -57.32 -44.76 84.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.516 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 148' ' ' VAL . 31.4 mmt -67.07 -36.31 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' MET . . . . . 0.495 ' O ' ' SD ' ' A' ' 165' ' ' MET . 2.9 tmm? -60.65 -40.62 92.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.448 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 17.5 m -45.53 -42.35 10.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.434 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.534 179.71 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . 0.629 'CA ' ' O ' ' A' ' 118' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 77.5 mtm . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.406 ' CG2' ' N ' ' A' ' 100' ' ' GLY . 21.2 tt -67.66 -40.87 84.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.674 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLY . . . . . 0.406 ' N ' ' CG2' ' A' ' 99' ' ' ILE . . . 173.23 -26.77 0.09 OUTLIER Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.34 -18.7 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.29 -51.03 67.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.51 -14.5 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.996 0.427 . . . . 0.0 110.604 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.6 mp -92.39 -44.23 8.81 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.276 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ARG . . . . . 0.632 ' NH2' ' NH2' ' A' ' 109' ' ' ARG . 59.0 ttt85 -60.97 -38.0 84.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.789 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -62.72 -44.22 96.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.18 90.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.362 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . 0.478 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 81.1 t80 -61.03 -44.59 97.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.448 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ARG . . . . . 0.632 ' NH2' ' NH2' ' A' ' 105' ' ' ARG . 77.7 mmt-85 -58.6 -33.04 69.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -55.34 -51.42 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.732 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -62.03 -47.01 86.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.885 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.478 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 78.7 m-20 -77.95 69.0 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.621 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.0 m -62.13 -42.58 99.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASN . . . . . 0.792 HD21 ' H ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -63.01 -30.61 71.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . 0.792 ' H ' HD21 ' A' ' 114' ' ' ASN . . . 87.23 18.98 56.54 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 31.9 p-10 -65.62 -18.7 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.489 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.12 -4.48 74.46 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' GLU . . . . . 0.406 ' O ' ' OD2' ' A' ' 116' ' ' ASP . 11.6 pt-20 -143.65 158.23 43.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.374 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 65.6 mt -107.19 113.48 43.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 110.007 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.2 m -94.35 -171.2 2.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.1 p -70.66 -41.71 71.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 62.1 p -74.17 -23.77 59.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.658 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -68.83 -23.86 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.618 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.82 -35.93 79.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.786 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 83.7 mtm180 -57.17 -42.42 81.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.419 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.93 -38.17 82.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.73 77.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.368 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.2 ttm -49.5 -43.44 45.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.254 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -62.79 -44.99 94.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.505 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -64.7 -39.99 94.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.495 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.92 -19.49 30.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 1.3 mm? 55.21 15.4 1.28 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.453 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -68.57 -38.66 86.57 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -147.35 121.41 9.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.607 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.38 -39.78 92.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.739 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.4 m -86.85 47.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.64 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.53 90.74 0.08 OUTLIER Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.45 ' O ' ' CD2' ' A' ' 138' ' ' HIS . 72.4 t60 -155.21 10.87 0.33 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.739 0.304 . . . . 0.0 110.545 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -74.72 -163.21 0.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -79.24 90.91 4.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.006 0.432 . . . . 0.0 110.38 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.426 ' C ' ' H ' ' A' ' 143' ' ' GLU . 16.1 mm -68.65 -24.48 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.533 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -54.63 -11.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.386 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLU . . . . . 0.426 ' H ' ' C ' ' A' ' 141' ' ' ILE . 84.9 tt0 -86.97 -38.72 16.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.71 179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.49 -43.47 94.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 149' ' ' ASP . 15.4 tt -61.02 -35.19 63.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.48 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -65.44 -41.04 93.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 57.4 t0 -63.09 -35.22 79.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' VAL . . . . . 0.45 ' C ' ' H ' ' A' ' 150' ' ' LEU . 35.5 t -91.15 -45.05 14.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.68 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.502 ' C ' ' H ' ' A' ' 151' ' ' ASN . 28.2 t70 -71.7 44.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' LEU . . . . . 0.45 ' H ' ' C ' ' A' ' 148' ' ' VAL . 68.4 mt -76.42 23.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.029 0.442 . . . . 0.0 110.334 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ASN . . . . . 0.502 ' H ' ' C ' ' A' ' 149' ' ' ASP . 15.7 m120 -106.31 -3.4 21.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.694 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 62.18 61.79 6.3 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 153' ' ' ASP . 18.7 p-10 -150.41 -28.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.664 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 87.03 11.96 69.04 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -135.95 150.6 49.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.0 0.428 . . . . 0.0 110.391 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 74.5 t -126.25 106.43 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.57 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -89.15 -168.85 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.496 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.43 -36.85 82.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.658 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.72 -52.0 62.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.939 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.16 -32.19 73.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.59 -47.7 84.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.409 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.24 -43.74 88.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -56.16 -43.26 78.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.216 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 14.8 tpt -58.07 -47.04 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.229 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 51.1 ttp -65.0 -38.59 91.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.245 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 34.7 t -63.17 -43.23 98.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.527 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.658 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.425 ' O ' ' OE2' ' A' ' 103' ' ' GLU . . . . . . . . 0 CA--C 1.526 0.72 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.43 -23.1 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.741 0.305 . . . . 0.0 110.53 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -56.98 -72.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.471 ' OE2' ' N ' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -58.75 -20.37 48.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.539 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -67.51 -54.01 23.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -65.37 -22.64 66.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.99 -46.01 75.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.73 -37.24 86.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.65 -45.68 91.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.404 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -60.74 -42.54 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 113' ' ' THR . 41.7 tp10 -46.0 -62.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -61.49 -46.07 91.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.773 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 115' ' ' GLY . 10.9 t70 -82.75 51.15 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 110' ' ' GLU . 89.3 m -64.26 -44.6 91.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.629 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 38.9 p-10 -60.33 -42.11 94.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.411 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' A' ' 117' ' ' GLY . . . 126.8 -137.19 9.82 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 70.77 -22.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.703 0.287 . . . . 0.0 110.426 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.56 ' H ' ' C ' ' A' ' 115' ' ' GLY . . . 74.38 14.8 80.59 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 18.9 pt-20 -150.07 159.46 44.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.54 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.6 mt -110.33 125.82 67.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.529 ' OG ' ' NH1' ' A' ' 155' ' ' ARG . 5.8 m -98.48 -167.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.559 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 p -76.05 -35.8 59.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.682 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.6 m -80.84 -17.47 50.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.524 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 120' ' ' SER . 49.9 mt-10 -77.43 -70.94 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.642 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -48.19 -32.67 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.437 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.536 ' NH2' ' OE2' ' A' ' 142' ' ' GLU . 43.2 ttm180 -61.38 -43.83 98.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.61 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -62.54 -26.26 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.508 ' O ' HD13 ' A' ' 131' ' ' LEU . . . -84.56 -31.09 24.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 9.9 mmt -59.7 -39.91 86.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.296 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.32 -44.17 92.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.385 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.21 -41.43 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 127' ' ' ALA . 7.1 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.72 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 143' ' ' GLU . 3.4 mp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.849 0.357 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.536 ' OE2' ' NH2' ' A' ' 125' ' ' ARG . 69.4 mm-40 -50.88 -15.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 141' ' ' ILE . 95.3 mt-10 -90.91 -37.97 13.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.594 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.04 -44.09 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.607 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 146' ' ' ARG . 7.2 tp -55.82 -36.66 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.413 ' N ' HG23 ' A' ' 145' ' ' ILE . 79.7 mtp85 -65.77 -38.77 89.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.586 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.464 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 14.9 m-20 -62.44 -40.06 95.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.403 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.8 t -79.91 -42.64 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -77.99 56.77 1.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.728 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 39.1 mt -88.62 12.15 15.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.438 HD21 ' NH2' ' A' ' 163' ' ' ARG . 7.5 m120 -102.16 -15.03 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.634 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.1 -8.08 58.5 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.7 p-10 -69.04 -26.25 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.552 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 88.17 1.63 81.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.529 ' NH1' ' OG ' ' A' ' 120' ' ' SER . 96.1 mtt-85 -143.74 169.97 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.651 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.25 122.46 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.548 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.42 ' OD1' ' CB ' ' A' ' 160' ' ' GLU . 49.6 p-10 -98.0 -160.43 0.8 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.546 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -74.1 -44.54 53.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 159' ' ' GLU . 58.9 mp0 -67.6 -45.53 75.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.42 ' CB ' ' OD1' ' A' ' 157' ' ' ASP . 78.1 tt0 -61.99 -35.02 77.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.466 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 161' ' ' PHE . 33.8 t80 -59.21 -45.53 90.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.15 -45.99 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.722 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 163' ' ' ARG . . . . . 0.438 ' NH2' HD21 ' A' ' 151' ' ' ASN . 89.1 mtm180 -59.76 -38.05 80.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 14.8 tpt -60.63 -42.53 97.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.412 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 165' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 165' ' ' MET . 14.0 tmm? . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.417 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 102' ' ' LYS . 31.2 m -64.4 -42.4 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.736 0.303 . . . . 0.0 110.507 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.465 ' N ' HG23 ' A' ' 101' ' ' VAL . 69.5 mmtt -47.73 -60.2 2.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.395 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.501 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 81.4 tt0 -52.66 -16.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 110.412 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -93.75 -43.74 8.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -68.96 -17.39 63.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.566 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 41.5 p-10 -60.9 -43.53 98.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.708 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ALA . . . . . 0.566 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -65.71 -36.76 84.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.97 0.414 . . . . 0.0 110.434 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.486 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 65.1 t80 -60.69 -43.46 97.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -62.16 -42.92 99.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.635 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -49.1 -55.31 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -61.14 -44.97 96.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.486 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.486 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 43.1 m-20 -75.19 65.67 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.665 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.9 m -62.58 -41.68 99.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.354 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 25.3 m-80 -56.38 -40.27 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.121 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 97.52 7.12 57.11 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 47.5 p-10 -63.53 -28.2 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.948 0.404 . . . . 0.0 110.405 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 116' ' ' ASP . . . 97.05 2.89 59.18 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.451 ' OE1' ' NH2' ' A' ' 155' ' ' ARG . 98.2 mt-10 -142.85 157.6 44.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.491 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.52 116.0 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p -87.88 -172.69 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 121' ' ' THR . 1.3 p -73.03 -37.9 66.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.516 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.6 m -80.05 -20.53 45.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -76.14 -19.18 58.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.676 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.0 mt -76.27 -23.42 54.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -58.53 -43.99 89.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.247 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.511 ' OE2' ' NH2' ' A' ' 129' ' ' ARG . 69.8 mm-40 -64.04 -42.8 96.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.323 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.43 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.471 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.5 ttm -54.96 -49.0 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.528 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ARG . . . . . 0.511 ' NH2' ' OE2' ' A' ' 126' ' ' GLU . 86.1 mtm180 -64.25 -42.02 96.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.912 0.387 . . . . 0.0 111.007 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -64.1 -41.99 97.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.737 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.544 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 64.9 mt . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.945 0.403 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.557 ' OE1' ' N ' ' A' ' 142' ' ' GLU . 56.8 mp0 -91.69 -10.18 41.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.565 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -92.93 -33.17 14.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.766 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 145' ' ' ILE . 21.3 tt -68.17 -40.4 82.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.802 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.494 ' N ' HG23 ' A' ' 144' ' ' ILE . 14.0 tt -57.52 -33.12 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.646 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -64.21 -40.45 96.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 99.1 m-20 -62.85 -42.37 99.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.971 0.415 . . . . 0.0 110.49 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.8 t -78.76 -43.3 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 153' ' ' ASP . 51.7 t0 -75.85 57.57 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.883 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 46.3 mt -92.81 30.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.385 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.64 HD22 ' CG ' ' A' ' 153' ' ' ASP . 20.6 p-10 -124.7 -17.42 5.93 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.76 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 82.94 78.67 1.05 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.64 ' CG ' HD22 ' A' ' 151' ' ' ASN . 48.3 p-10 -157.43 -33.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.578 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 88.54 13.18 63.61 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.451 ' NH2' ' OE1' ' A' ' 118' ' ' GLU . 6.0 ptm180 -152.15 168.9 23.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.412 . . . . 0.0 110.365 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 45.3 t -126.56 113.15 32.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.44 -171.81 3.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.634 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -67.2 -40.91 86.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.766 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -66.87 -45.73 77.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.709 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.49 -38.24 89.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.305 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.58 -47.08 87.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.58 -47.42 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.656 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -54.92 -43.25 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.295 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.5 tpt -60.46 -46.33 90.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' MET . . . . . 0.42 ' SD ' HD21 ' A' ' 104' ' ' LEU . 43.5 ttm . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.495 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.0 -41.14 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.768 0.318 . . . . 0.0 110.42 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -51.7 -49.36 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -55.77 -19.75 12.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.373 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 mt -94.66 -51.17 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.709 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.55 -41.78 95.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.257 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -64.0 -41.26 97.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.452 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.86 88.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.385 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -61.95 -44.73 96.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -53.25 -42.56 66.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.328 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -44.61 -61.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.523 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -61.81 -45.83 92.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 114' ' ' ASN . 54.9 t0 -82.33 62.17 5.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.528 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.8 m -61.87 -44.78 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.507 ' ND2' ' OE2' ' A' ' 123' ' ' GLU . 10.1 p-10 -60.43 -25.27 65.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.528 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 80.3 22.52 62.65 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 118' ' ' GLU . 44.8 p30 -66.74 -12.51 58.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.547 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.31 1.49 90.36 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 17.2 pt-20 -145.71 158.41 43.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.373 . . . . 0.0 110.546 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.29 115.89 50.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.414 ' H ' ' CG ' ' A' ' 123' ' ' GLU . 5.0 p -98.28 -170.88 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.5 p -69.84 -37.62 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.9 p -78.32 -16.39 57.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.425 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 114' ' ' ASN . 76.7 mm-40 -76.29 -11.62 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.54 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 89.0 mt -93.22 -13.76 27.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.416 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.94 -39.82 90.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.433 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -68.35 -43.51 77.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.29 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.561 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.438 ' SD ' ' C ' ' A' ' 128' ' ' MET . 0.9 OUTLIER -64.93 -39.07 92.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.467 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -61.68 -41.91 98.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.4 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -79.29 -23.43 43.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.449 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.437 -179.789 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.882 0.373 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 145' ' ' ILE . 22.3 pt-20 -93.51 -12.31 29.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.647 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -95.33 -25.11 16.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.664 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 19.7 tt -64.93 -28.18 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 142' ' ' GLU . 20.2 tt -63.38 -31.24 52.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.631 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -60.77 -42.87 98.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.7 -50.23 73.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.594 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.7 t -73.39 -43.96 55.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.735 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 155' ' ' ARG . 46.0 t0 -88.78 65.91 7.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.816 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 16.4 mt -81.05 22.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.403 ' OD1' ' OE2' ' A' ' 160' ' ' GLU . 10.1 t-20 -93.21 -28.2 16.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.727 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 89.45 7.77 68.99 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.421 ' OD1' ' OD1' ' A' ' 149' ' ' ASP . 39.1 p-10 -89.91 -24.58 21.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 110.684 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.434 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 94.37 3.64 63.01 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.521 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 87.6 mtm-85 -141.61 170.21 16.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 110.64 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.97 113.61 27.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -94.16 -167.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.441 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -67.76 -32.41 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -75.37 -53.63 8.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.771 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.403 ' OE2' ' OD1' ' A' ' 151' ' ' ASN . 93.3 mt-10 -60.14 -31.65 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.79 -46.27 82.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.797 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.0 -39.8 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.736 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.37 -35.66 74.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.745 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 164' ' ' MET . 0.7 OUTLIER -56.92 -47.31 80.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.531 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.532 179.4 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 101' ' ' VAL . 28.2 t -41.71 -29.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -68.87 -69.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.747 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -54.29 -20.37 6.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.447 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.3 mp -87.06 -52.33 5.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -61.43 -39.33 90.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.177 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -62.0 -41.92 98.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.47 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.8 95.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.431 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.93 -43.39 98.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -55.68 -43.37 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.56 -54.74 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.628 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' A' ' 117' ' ' GLY . 34.5 t70 -85.97 58.62 5.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.4 m -61.22 -42.64 98.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.557 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.55 ' ND2' ' OD2' ' A' ' 116' ' ' ASP . 9.9 p30 -60.21 -21.3 61.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.528 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 79.64 20.98 67.43 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.55 ' OD2' ' ND2' ' A' ' 114' ' ' ASN . 98.4 m-20 -67.83 -20.27 65.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.459 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.499 ' H ' ' CG ' ' A' ' 112' ' ' ASP . . . 89.97 -7.27 81.99 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.444 ' O ' ' OE1' ' A' ' 123' ' ' GLU . 95.3 mt-10 -139.8 156.76 46.58 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 120.709 0.29 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.3 mt -109.28 120.15 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.289 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.443 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 5.6 t -97.46 -162.15 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.441 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 p -83.56 -30.78 26.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.3 m -86.84 -19.41 29.01 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.373 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 118' ' ' GLU . 46.7 mt-10 -69.94 -19.07 63.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.734 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.42 -18.32 58.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.585 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.01 -44.89 95.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 126' ' ' GLU . 56.8 mp0 -66.92 -40.54 87.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.461 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.26 95.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.276 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.8 tpp -45.43 -44.33 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.274 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.92 -43.9 97.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -64.84 -43.14 94.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.684 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.306 -179.232 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 141' ' ' ILE . 73.1 mt . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -76.0 -12.26 60.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.622 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -91.66 -33.42 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.82 -43.71 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.537 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 12.5 tt -54.7 -35.59 33.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.538 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -60.98 -42.55 98.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.588 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -65.91 -49.92 66.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.062 0.458 . . . . 0.0 110.668 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 83.5 t -68.87 -44.52 81.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.485 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 155' ' ' ARG . 52.0 t0 -89.66 58.51 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.86 5.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.459 ' H ' ' C ' ' A' ' 149' ' ' ASP . 20.2 t-20 -66.92 -41.51 86.92 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.453 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 92.0 30.35 10.4 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -129.58 -11.98 4.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.616 0.246 . . . . 0.0 110.652 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.452 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 86.49 11.07 72.37 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.463 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 41.9 ttm180 -135.17 151.28 50.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.764 0.316 . . . . 0.0 110.569 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 3.3 t -133.03 102.55 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 21.6 t0 -86.21 -153.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.469 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.512 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 92.1 t80 -77.95 -36.18 49.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -75.24 -49.74 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 155' ' ' ARG . 90.3 mt-10 -61.89 -27.39 68.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.455 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.27 -46.85 84.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.97 -32.8 59.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -53.66 -33.15 54.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.421 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.19 -43.09 87.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.476 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 36.2 tpp . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.363 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 102' ' ' LYS . 28.7 m -64.03 -38.38 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.695 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 104' ' ' LEU . 88.6 tttt -58.32 -65.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -44.26 -20.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.543 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' LYS . 91.5 mt -95.19 -42.39 8.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -61.24 -35.38 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.564 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -61.98 -43.12 99.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.32 86.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -61.11 -41.2 96.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -62.34 -38.06 88.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.427 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -54.97 -50.94 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -61.88 -43.11 99.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.555 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.556 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 29.4 t0 -77.34 68.7 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.567 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 65.0 m -64.01 -42.3 97.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.493 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.584 HD21 ' CD ' ' A' ' 123' ' ' GLU . 0.9 OUTLIER -61.89 -39.72 92.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.599 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.488 ' N ' ' OD1' ' A' ' 112' ' ' ASP . . . 95.91 12.66 52.25 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 50.6 p-10 -63.37 -20.71 65.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.555 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 94.85 -0.16 64.52 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -144.34 157.39 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.528 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.2 mm -104.93 116.37 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.562 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.2 p -93.3 -164.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.538 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 31.9 p -85.19 -25.44 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.1 m -88.25 -19.56 26.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.584 ' CD ' HD21 ' A' ' 114' ' ' ASN . 50.3 mt-10 -70.53 -20.87 62.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.57 -35.02 76.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -48.98 -41.8 35.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.98 -39.07 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 130' ' ' LYS . . . -68.38 -41.82 80.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 85.4 mmm -46.83 -39.85 12.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.397 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -62.71 -27.0 68.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.433 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' ALA . 65.6 tttm -81.03 -33.5 33.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.402 HD12 ' N ' ' A' ' 131' ' ' LEU . 10.9 mp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.413 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' A' ' 143' ' ' GLU . 67.6 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.798 0.332 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -53.76 -9.89 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.567 ' N ' ' OE1' ' A' ' 143' ' ' GLU . 52.2 mp0 -90.78 -36.27 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.45 -42.04 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.488 HG23 ' N ' ' A' ' 146' ' ' ARG . 4.3 tp -61.8 -40.92 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.488 ' N ' HG23 ' A' ' 145' ' ' ILE . 79.1 mtp85 -60.37 -45.93 91.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.548 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.21 -49.1 71.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.4 t -68.53 -44.99 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 151' ' ' ASN . 46.2 t0 -85.54 46.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.01 13.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.533 ' H ' ' C ' ' A' ' 149' ' ' ASP . 26.4 t-20 -79.38 -34.63 41.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.47 37.83 6.07 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 52.1 p-10 -124.82 -20.96 4.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 110.668 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.442 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 93.92 -0.8 67.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.462 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 89.9 mtm-85 -142.26 167.47 22.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 110.61 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.62 108.84 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -91.33 -164.6 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.77 -43.67 92.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -68.7 -53.53 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.592 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 155' ' ' ARG . 93.3 mt-10 -58.3 -32.3 68.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 161' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' A' ' 164' ' ' MET . 84.0 t80 -60.57 -47.65 85.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.635 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.49 -41.93 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.67 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -48.85 -23.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.488 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.513 ' SD ' ' C ' ' A' ' 164' ' ' MET . 3.2 ppp? -59.43 -36.26 75.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 165' ' ' MET . . . . . 0.412 ' N ' ' CG ' ' A' ' 164' ' ' MET . 3.8 mmt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 102' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.0 t -43.86 -20.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.642 0.258 . . . . 0.0 110.529 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 100' ' ' GLY . 63.9 tttp -66.04 -71.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -52.16 -27.71 15.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.447 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 104' ' ' LEU . 10.9 mp -78.44 -47.38 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.29 -37.7 87.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.175 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.71 -47.0 88.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.28 98.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.32 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -61.87 -48.07 82.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.51 -38.58 91.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.334 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -51.58 -50.43 60.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.771 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -60.9 -45.95 92.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.763 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -51.44 96.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.506 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.5 m -87.88 -27.4 22.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.469 HD21 ' CG ' ' A' ' 116' ' ' ASP . 49.3 p30 -96.49 -19.43 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.677 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.469 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 77.0 25.65 63.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.469 ' CG ' HD21 ' A' ' 114' ' ' ASN . 36.5 p-10 -77.27 -3.48 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 110.463 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.6 87.85 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -147.87 160.15 43.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.566 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.92 124.42 70.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.262 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 p -117.66 -164.96 1.04 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.621 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 74.6 p -69.4 -43.77 72.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.5 t -66.33 -16.1 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.317 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 116' ' ' ASP . 50.0 mt-10 -94.7 -53.45 3.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.44 -39.29 83.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.413 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.421 ' HE ' HG13 ' A' ' 141' ' ' ILE . 43.3 ttm180 -55.75 -43.52 76.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.466 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.18 -19.99 66.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.38 -39.53 17.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 110.533 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 49.9 ttp -47.1 -24.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.405 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.65 -46.83 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.015 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 131' ' ' LEU . 17.0 ptmt -84.91 -40.64 16.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.478 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.474 ' N ' ' CG ' ' A' ' 130' ' ' LYS . 40.1 tp . . . . . 0 C--O 1.232 0.169 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.223 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.421 HG13 ' HE ' ' A' ' 125' ' ' ARG . 15.2 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.814 0.34 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.63 -19.24 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.562 ' N ' ' OE1' ' A' ' 143' ' ' GLU . 57.2 mp0 -86.4 -41.21 14.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.494 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.08 -43.54 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 145' ' ' ILE . 10.7 tp -62.99 -28.12 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.569 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -60.72 -42.35 97.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.504 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.66 -49.45 76.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.369 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 7.4 t -72.09 -42.83 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 110.639 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 151' ' ' ASN . 33.8 t70 -87.14 59.37 5.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.27 21.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.474 ' H ' ' C ' ' A' ' 149' ' ' ASP . 11.3 m120 -103.17 -16.13 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 74.19 6.82 75.81 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' A' ' 149' ' ' ASP . 44.2 p-10 -93.45 -21.09 19.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.876 0.37 . . . . 0.0 110.68 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 149' ' ' ASP . . . 83.88 12.68 76.68 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -134.39 146.26 49.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.499 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 53.6 t -119.97 134.19 64.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.358 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -116.6 -169.15 1.57 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -67.17 -44.98 78.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.005 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 160' ' ' GLU . 15.8 pt-20 -65.28 -43.06 92.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.619 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.442 ' N ' ' CG ' ' A' ' 159' ' ' GLU . 83.3 mt-10 -65.92 -32.21 73.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.41 -47.3 86.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.64 -43.25 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -56.19 -42.81 77.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 164' ' ' MET . 0.6 OUTLIER -59.84 -41.11 90.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 179.793 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.9 m -63.12 -36.01 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.608 0.242 . . . . 0.0 110.528 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -61.8 -58.77 6.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.425 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -56.94 -20.02 21.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.952 0.406 . . . . 0.0 110.808 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.1 mt -88.91 -44.59 10.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.418 ' NE ' ' CZ ' ' A' ' 158' ' ' PHE . 29.0 mmt180 -61.04 -36.26 79.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.449 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.75 -45.23 90.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.32 95.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.351 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -62.35 -46.29 89.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.63 -36.86 85.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.03 -47.27 71.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -66.06 -41.07 91.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.507 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.88 72.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.494 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.9 m -62.33 -42.34 99.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -62.57 -41.48 98.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.245 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.67 8.88 58.02 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.07 -18.83 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.459 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.46 -0.63 58.37 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 118' ' ' GLU . 56.2 mp0 -143.35 158.55 43.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.93 0.395 . . . . 0.0 110.485 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.4 mm -102.81 121.71 54.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.045 0.45 . . . . 0.0 110.496 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.455 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 2.7 m -84.99 -161.15 0.55 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.483 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -89.08 -26.94 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.441 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.3 p -88.64 -20.4 24.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 120' ' ' SER . 46.1 mt-10 -64.76 -22.31 66.96 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.731 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 124' ' ' LEU . 3.9 mm? -69.46 -33.26 72.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 58.4 ttm-85 -55.48 -44.41 76.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.16 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.99 -41.41 97.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.588 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 130' ' ' LYS . . . -66.1 -41.32 90.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.423 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.5 tpp -43.84 -43.06 6.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.444 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.4 ttp85 -64.69 -39.27 93.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.421 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 127' ' ' ALA . 30.3 mmtp -63.62 -43.5 96.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.431 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 131' ' ' LEU . 11.1 mp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.74 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.007 0.432 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 142' ' ' GLU . 49.9 mp0 -92.59 -9.43 41.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.379 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -94.0 -33.55 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.617 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 145' ' ' ILE . 21.0 tt -67.36 -40.4 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 149' ' ' ASP . 10.2 tp -56.91 -39.32 64.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.773 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.476 ' N ' HG23 ' A' ' 145' ' ' ILE . 62.2 ttp180 -63.77 -41.32 97.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.28 -38.08 87.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.576 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.3 t -88.91 -27.6 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.645 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 145' ' ' ILE . 36.4 t70 -90.73 44.15 1.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 58.6 mt -75.17 21.78 0.12 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.589 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.592 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 0.7 OUTLIER -97.53 -28.54 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.543 -179.66 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 90.37 10.53 63.74 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 160' ' ' GLU . 11.7 m-20 -92.41 -25.43 18.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.456 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 97.34 1.25 59.32 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.428 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 0.0 OUTLIER -147.01 173.24 12.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.336 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.24 112.59 36.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.986 0.422 . . . . 0.0 110.465 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -91.7 -176.68 4.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.418 ' CZ ' ' NE ' ' A' ' 105' ' ' ARG . 69.0 t80 -63.22 -43.73 97.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.565 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.05 -47.73 81.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.592 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 93.3 mt-10 -64.67 -37.81 88.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.309 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -60.56 -45.56 93.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.74 -48.25 87.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.551 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -54.81 -44.38 73.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.7 tpt -61.09 -45.87 92.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.427 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 59.0 tpp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.43 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.16 -44.75 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 110.54 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -60.35 -59.28 5.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.652 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -51.88 -17.64 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.722 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.464 HD21 ' SD ' ' A' ' 165' ' ' MET . 58.4 mt -94.18 -48.85 6.01 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.657 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.481 HH12 ' NH1' ' A' ' 109' ' ' ARG . 73.1 ttp85 -63.22 -41.59 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.274 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -64.91 -42.36 94.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.546 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.0 92.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.414 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -63.36 -47.11 83.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.53 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.481 ' NH1' HH12 ' A' ' 105' ' ' ARG . 87.1 mtm180 -59.6 -33.28 71.28 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.402 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -54.5 -55.53 28.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 113' ' ' THR . 92.2 m-85 -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.515 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -60.53 75.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 111' ' ' PHE . 75.6 m -63.41 -43.52 97.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.442 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -64.25 -42.85 96.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.052 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.14 11.41 58.67 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 29.3 p-10 -71.72 -6.35 40.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.963 0.411 . . . . 0.0 110.642 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.27 -0.93 72.43 Favored Glycine 0 N--CA 1.461 0.346 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -138.74 156.81 47.06 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.039 0.447 . . . . 0.0 110.47 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.8 mm -104.99 115.94 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.091 0.472 . . . . 0.0 110.483 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.539 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 15.3 m -90.72 -175.42 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.44 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 56.9 p -71.65 -36.45 70.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.252 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.0 t -76.14 -22.68 55.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.238 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 120' ' ' SER . 44.5 mt-10 -71.56 -21.19 61.92 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.61 -18.45 44.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.625 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.52 -43.9 97.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -66.64 -40.38 88.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.69 -35.75 81.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.343 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -37.82 64.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.2 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -59.53 -46.49 88.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.52 -38.07 68.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.6 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.437 -178.453 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.888 0.375 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.5 -13.32 39.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.61 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -93.41 -30.27 15.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.72 -42.88 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.654 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 146' ' ' ARG . 8.9 tp -48.88 -36.71 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.424 ' N ' HG23 ' A' ' 145' ' ' ILE . 87.5 mtm180 -65.51 -38.17 88.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.607 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 64.9 t0 -59.96 -43.81 94.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.609 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 5.5 t -83.09 -43.27 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.625 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.407 ' OD1' ' OD1' ' A' ' 153' ' ' ASP . 54.2 t0 -72.92 56.3 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.913 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 62.2 mt -92.99 19.44 7.79 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.586 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.513 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 51.9 p-10 -113.21 -27.03 8.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 151' ' ' ASN . . . 94.28 80.1 1.47 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 41.9 p-10 -159.3 -34.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 96.4 -0.54 61.72 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.447 ' O ' ' OD2' ' A' ' 153' ' ' ASP . 99.6 mtt180 -145.38 173.25 12.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.608 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 11.4 t -119.51 114.55 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 121.081 0.467 . . . . 0.0 110.103 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 28.7 t70 -92.93 -175.41 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.504 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 76.3 t80 -63.98 -43.06 96.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.454 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.72 -44.38 77.75 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.513 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 80.0 tt0 -64.69 -35.63 81.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.351 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.86 -46.17 91.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 78.7 t -63.07 -45.89 97.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.457 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -57.62 -36.09 71.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.475 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.454 ' SD ' ' C ' ' A' ' 164' ' ' MET . 13.4 tmm? -60.88 -44.56 96.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 165' ' ' MET . . . . . 0.464 ' SD ' HD21 ' A' ' 104' ' ' LEU . 32.0 ttm . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.557 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.21 -43.92 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.501 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -61.19 -47.81 84.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.705 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.53 -17.66 34.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.206 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.3 mt -93.87 -49.91 5.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.499 ' NH1' ' NH2' ' A' ' 109' ' ' ARG . 74.3 ttp85 -61.07 -40.88 95.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.3 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -63.25 -41.93 99.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.26 98.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -62.19 -47.01 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.544 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.499 ' NH2' ' NH1' ' A' ' 105' ' ' ARG . 44.9 ttm180 -61.9 -42.31 98.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.446 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -48.23 -64.28 0.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.757 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.577 ' O ' ' N ' ' A' ' 113' ' ' THR . 66.1 m-85 -57.3 -37.99 73.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.24 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -57.02 75.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 110.67 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.577 ' N ' ' O ' ' A' ' 111' ' ' PHE . 16.6 m -68.85 -33.9 74.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.684 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -69.16 -39.79 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.28 11.81 77.43 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -83.05 -3.23 57.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.622 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.7 14.78 74.89 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.411 ' O ' ' OE1' ' A' ' 123' ' ' GLU . 17.5 pt-20 -150.16 160.22 43.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.609 0.242 . . . . 0.0 110.451 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.7 mt -120.16 117.37 53.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.567 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.5 t -107.19 -168.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.487 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.5 p -66.9 -48.28 69.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.497 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 90.2 p -69.02 -13.08 62.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.214 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 118' ' ' GLU . 57.5 tt0 -95.81 -58.6 2.06 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.295 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LEU . . . . . 0.68 ' O ' HD23 ' A' ' 124' ' ' LEU . 1.4 tt -49.4 -33.68 14.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.6 ttt-85 -58.57 -44.06 89.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.352 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.49 -32.81 73.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.439 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.12 82.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.466 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' MET . . . . . 0.502 ' SD ' HG23 ' A' ' 141' ' ' ILE . 91.8 mtp -63.53 -40.4 96.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.347 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.47 -46.27 90.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.128 0.489 . . . . 0.0 110.188 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -66.03 -33.16 75.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.358 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.564 -178.982 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 141' ' ' ILE . 95.9 mt . . . . . 0 C--O 1.226 -0.14 0 CA-C-O 120.754 0.311 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 145' ' ' ILE . 15.7 pt-20 -91.19 -9.56 44.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.495 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -93.45 -20.69 20.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.477 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 141' ' ' ILE . 19.0 tt -66.98 -33.04 60.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.565 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 142' ' ' GLU . 19.2 tt -62.02 -26.32 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.225 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.03 -43.76 98.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.496 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.17 -49.06 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.582 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.462 HG12 HG21 ' A' ' 156' ' ' VAL . 7.5 t -71.43 -44.92 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.666 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 151' ' ' ASN . 33.5 t70 -90.19 71.12 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.699 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 11.9 mt -84.35 22.7 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.544 HD22 ' CD ' ' A' ' 160' ' ' GLU . 11.4 p30 -108.36 -17.15 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.62 -2.51 78.41 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -73.5 -24.74 60.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.762 0.315 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 85.39 13.09 71.53 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.511 ' NH1' ' OD1' ' A' ' 157' ' ' ASP . 39.2 ptt85 -145.34 160.96 40.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.711 0.291 . . . . 0.0 110.267 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 156' ' ' VAL . . . . . 0.462 HG21 HG12 ' A' ' 148' ' ' VAL . 85.4 t -124.55 129.2 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.386 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.511 ' OD1' ' NH1' ' A' ' 155' ' ' ARG . 89.1 m-20 -105.68 -169.36 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -67.39 -44.62 78.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.784 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 160' ' ' GLU . 14.5 pt-20 -67.04 -43.71 82.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.835 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.544 ' CD ' HD22 ' A' ' 151' ' ' ASN . 94.8 mt-10 -66.71 -30.58 70.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.414 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.16 -45.18 95.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.544 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.64 -43.0 96.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -38.04 48.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.538 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.1 -44.13 82.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' A' ' 165' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 90.2 t -46.63 -40.0 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.544 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -58.36 -50.65 72.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.605 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.98 -20.11 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 0.0 110.345 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.06 -42.26 11.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -68.46 -23.68 64.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.291 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -71.75 -44.34 64.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.85 97.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.263 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.97 -47.58 85.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.473 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -60.5 -42.97 97.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -61.31 -19.47 61.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.514 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -93.08 -30.98 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.658 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 44.4 t0 -81.87 86.69 6.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.487 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.5 m -63.55 -41.6 98.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.446 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -64.06 -40.47 96.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.786 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.5 11.79 68.22 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 32.1 p-10 -79.7 -1.99 40.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.797 0.332 . . . . 0.0 110.513 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.53 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 86.18 10.54 74.46 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -141.32 155.69 45.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.737 0.303 . . . . 0.0 110.335 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.8 mm -108.68 120.04 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.964 0.411 . . . . 0.0 110.395 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.535 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 13.5 m -86.1 -171.34 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.325 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 p -75.5 -34.58 60.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.285 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 t -79.93 -25.23 40.57 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 120' ' ' SER . 47.3 mt-10 -68.46 -27.17 65.93 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.777 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 66.2 mt -67.98 -38.89 83.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.858 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -58.31 -43.47 88.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.448 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.29 -39.91 94.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.911 0.386 . . . . 0.0 110.427 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.4 70.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.4 tpt -65.1 -40.57 94.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.389 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -62.86 -44.23 96.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.397 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -71.27 -36.28 71.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.013 0.435 . . . . 0.0 110.614 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 N--CA 1.451 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.655 -179.094 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.402 ' C ' ' N ' ' A' ' 143' ' ' GLU . 59.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.692 0.282 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -53.92 -12.16 0.53 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 141' ' ' ILE . 83.6 tt0 -94.03 -29.31 15.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.3 -42.85 88.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 13.4 tt -52.47 -34.95 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.573 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -62.57 -42.4 99.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.763 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 64.2 t0 -64.54 -47.13 79.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.606 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.0 t -71.44 -44.9 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.746 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -80.08 72.31 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.668 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 37.6 mt -106.32 22.37 15.86 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 50.5 p30 -119.71 -5.58 10.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.712 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 69.34 69.18 1.44 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.7 p-10 -140.64 -29.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.672 0.273 . . . . 0.0 110.705 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 94.15 -7.4 72.69 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.431 ' O ' ' OD2' ' A' ' 153' ' ' ASP . 84.6 mtt85 -141.55 -173.67 3.83 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.634 0.254 . . . . 0.0 110.475 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.9 t -126.54 114.97 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.357 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -86.79 179.03 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.302 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -64.56 -44.34 91.06 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.604 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -66.48 -44.14 83.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.903 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.531 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 81.6 tt0 -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.93 -46.62 84.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.14 -47.84 91.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.88 0.372 . . . . 0.0 110.652 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -56.21 -42.23 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.007 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 18.1 tpt -63.37 -37.82 88.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.407 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 36.1 ttm . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.339 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.4 -22.55 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.766 0.317 . . . . 0.0 110.46 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.81 -56.77 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -55.2 -15.11 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.508 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.2 mp -94.06 -51.08 5.01 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.31 -42.34 98.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.325 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.88 -40.83 95.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.635 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.53 96.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -54.3 -45.67 72.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -59.32 -40.85 87.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.374 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.89 -22.41 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -90.45 -39.31 12.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.54 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -77.59 84.13 3.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.928 0.394 . . . . 0.0 110.308 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.9 m -65.08 -38.72 91.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.654 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -67.99 -41.11 82.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.92 3.84 73.04 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -63.81 -42.13 97.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 129.96 7.91 3.56 Favored Glycine 0 N--CA 1.465 0.585 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -149.97 159.61 44.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.852 0.358 . . . . 0.0 110.369 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.4 mm -110.65 115.32 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.498 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.7 p -85.53 176.8 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.594 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.44 HG22 HD13 ' A' ' 145' ' ' ILE . 20.8 p -63.37 -44.4 94.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.389 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 81.9 p -78.39 -18.6 54.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.334 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -73.86 -15.64 61.15 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.352 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.1 mt -75.83 -25.66 56.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -58.56 -42.53 88.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.77 -41.71 95.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.392 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.39 70.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.48 -39.79 95.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -61.45 -44.79 96.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.474 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.57 -34.79 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 59.9 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.643 -179.198 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 141' ' ' ILE . 76.7 mt . . . . . 0 N--CA 1.46 0.066 0 CA-C-O 120.931 0.396 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -90.05 -11.25 42.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.418 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.81 -33.1 12.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.702 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 145' ' ' ILE . 20.0 tt -66.04 -37.79 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.655 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 121' ' ' THR . 14.6 tt -55.9 -28.46 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.409 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -59.13 -44.98 92.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.437 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -68.36 -42.6 78.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.438 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.488 HG22 ' SD ' ' A' ' 164' ' ' MET . 89.1 t -67.99 -45.87 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.516 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 154' ' ' GLY . 40.3 t0 -91.13 82.16 5.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.538 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.5 mt -102.78 24.13 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.745 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.475 ' ND2' ' CD ' ' A' ' 160' ' ' GLU . 4.4 p30 -114.12 -8.15 13.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' GLY . . . . . 0.437 ' O ' ' OD1' ' A' ' 153' ' ' ASP . . . 68.21 63.57 3.54 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 152' ' ' GLY . 78.9 m-20 -136.36 -21.62 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.314 . . . . 0.0 110.601 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 149' ' ' ASP . . . 84.65 11.85 76.4 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -151.33 -178.27 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.396 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.18 107.17 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -90.49 -171.39 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.39 -46.09 88.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.696 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -69.38 -42.75 74.75 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.475 ' CD ' ' ND2' ' A' ' 151' ' ' ASN . 93.4 mt-10 -65.0 -32.54 74.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.493 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.23 -42.12 98.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.523 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.24 -45.2 93.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.561 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -53.11 -38.52 62.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.251 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.488 ' SD ' HG22 ' A' ' 148' ' ' VAL . 52.7 ttp -62.36 -40.18 95.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 165' ' ' MET . . . . . 0.434 ' SD ' ' C ' ' A' ' 165' ' ' MET . 1.2 tmt? . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.486 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 15.5 m -60.31 -40.24 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.593 0.235 . . . . 0.0 110.494 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -62.46 -52.88 61.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.538 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -61.97 -15.19 41.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.059 0.457 . . . . 0.0 110.524 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.4 mt -93.4 -43.97 8.5 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.663 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -63.02 -38.99 93.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.386 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.21 -43.27 99.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.31 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.23 86.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.524 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 69.6 t80 -60.19 -45.14 94.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -59.63 -32.1 70.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.697 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -56.89 -52.7 64.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' THR . 84.4 m-85 -61.96 -44.68 96.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.524 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 13.0 m-20 -63.28 72.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.752 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 111' ' ' PHE . 13.2 m -65.22 -37.12 86.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.529 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 37.4 p30 -80.33 -30.64 38.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.693 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 85.93 21.7 51.96 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.467 ' CG ' HD21 ' A' ' 114' ' ' ASN . 37.3 p-10 -72.03 -6.74 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.528 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.55 4.47 89.15 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 13.5 pt-20 -150.62 160.73 43.61 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.081 0.467 . . . . 0.0 110.523 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.9 mm -104.42 115.52 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 121.296 0.569 . . . . 0.0 110.377 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.8 p -93.98 -175.88 3.84 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.1 p -68.76 -37.81 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.437 ' O ' ' OE1' ' A' ' 126' ' ' GLU . 32.1 t -78.92 -20.6 48.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.455 ' OE2' ' N ' ' A' ' 113' ' ' THR . 37.5 tp10 -69.7 -25.34 63.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.355 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.1 mt -74.85 -25.42 58.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -60.43 -43.78 96.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.562 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 122' ' ' SER . 57.4 mp0 -66.47 -37.32 84.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.65 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.65 78.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -36.04 6.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -63.23 -37.44 87.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -83.79 -39.48 19.95 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 47.2 tp . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.519 -179.731 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 141' ' ' ILE . 89.1 mt . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 121.277 0.561 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -82.39 -11.87 58.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.511 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -90.41 -32.11 16.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.616 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.27 -43.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.621 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 146' ' ' ARG . 20.4 tt -61.08 -37.69 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.411 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 149' ' ' ASP . 44.9 ttm180 -60.21 -30.54 69.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.224 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -72.31 -62.84 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.428 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.12 -47.73 91.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.353 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 146' ' ' ARG . 46.6 t0 -95.7 166.91 11.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.083 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mt 166.63 30.52 0.0 OUTLIER 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.676 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -95.69 -2.53 47.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.832 0.349 . . . . 0.0 110.712 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 69.88 63.77 3.19 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 50.0 p-10 -163.54 -28.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.965 0.412 . . . . 0.0 110.694 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.53 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 83.4 15.64 70.93 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -123.67 137.64 54.68 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.897 0.38 . . . . 0.0 110.569 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 71.5 t -123.5 103.97 13.62 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.475 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 24.3 t0 -88.63 -157.13 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.548 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 67.6 t80 -76.09 -31.12 58.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.698 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.68 -56.96 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.661 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -60.32 -31.8 70.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.515 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.93 -46.53 84.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.75 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 162' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 158' ' ' PHE . 74.1 t -65.63 -41.27 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.582 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -49.07 -27.43 3.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.63 -44.49 96.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.495 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.176 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 63.6 t -53.32 -19.36 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.674 0.273 . . . . 0.0 110.434 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.73 -71.24 0.15 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.996 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -49.95 -28.64 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.375 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.0 mt -79.69 -44.38 20.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.76 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -63.99 -36.57 84.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.88 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.4 -43.69 85.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.008 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.77 88.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.559 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -60.29 -44.48 95.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.32 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -58.17 -42.12 85.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.414 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -44.79 -61.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.577 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.73 -46.7 88.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.2 60.27 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.455 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.0 m -61.39 -43.56 98.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 32.9 p30 -59.77 -30.29 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 88.12 21.97 43.53 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.517 ' OD2' ' ND2' ' A' ' 114' ' ' ASN . 98.9 m-20 -67.48 -15.81 63.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.538 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 86.36 -3.02 87.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -148.88 159.08 44.51 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 54.8 mt -108.81 121.83 62.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 110.041 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.532 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 4.9 t -96.67 -170.45 2.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.426 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.9 p -70.61 -41.69 71.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.361 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -74.98 -23.4 58.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 120' ' ' SER . 49.8 mt-10 -70.48 -26.69 63.73 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.999 0.428 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.26 -34.65 73.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.872 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.57 -42.35 96.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.627 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -60.84 -43.44 98.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.38 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.1 67.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.766 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.9 ttt -53.05 -43.08 66.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.323 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.39 -48.5 81.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -65.37 -42.34 92.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.565 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.09 -179.583 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 141' ' ' ILE . 77.0 mt . . . . . 0 N--CA 1.463 0.217 0 CA-C-O 120.743 0.306 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.65 -9.7 58.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.603 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.72 -33.2 15.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.573 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.92 -43.41 97.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 146' ' ' ARG . 20.7 tt -61.83 -36.73 75.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.45 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.411 ' N ' HG23 ' A' ' 145' ' ' ILE . 77.4 ttt180 -60.41 -42.4 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.55 -24.58 66.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.428 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 87.3 t -91.6 -48.24 13.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 151' ' ' ASN . 98.1 m-20 -76.94 49.52 0.66 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.75 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.04 23.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.649 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.568 HD21 ' CD ' ' A' ' 160' ' ' GLU . 18.0 p30 -129.29 0.87 5.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.823 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 71.94 70.96 1.12 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.446 ' OD2' ' OE2' ' A' ' 160' ' ' GLU . 98.3 m-20 -136.12 -44.76 0.64 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 91.96 1.35 70.35 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' ARG . . . . . 0.425 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 88.9 mtm180 -143.37 166.69 24.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 110.49 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.64 118.79 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.434 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -100.1 -168.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.253 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -64.52 -44.72 89.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.725 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -66.86 -47.95 70.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.045 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.568 ' CD ' HD21 ' A' ' 151' ' ' ASN . 89.8 mt-10 -64.25 -34.57 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.417 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -61.14 -43.35 99.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.62 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.28 -44.89 96.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.652 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 163' ' ' ARG . . . . . 0.428 HH21 ' CG ' ' A' ' 160' ' ' GLU . 90.9 mtm-85 -60.94 -38.54 86.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.3 ttt -60.1 -47.37 86.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.808 0.337 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 179.773 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.671 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 101' ' ' VAL . 4.3 m -62.42 -33.78 61.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 110.503 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -59.23 -67.58 0.36 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.76 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -52.32 -14.88 0.51 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.0 mt -90.47 -46.2 8.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.679 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.533 ' NH1' ' CG ' ' A' ' 158' ' ' PHE . 15.5 tpt180 -62.1 -38.75 90.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.419 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 106' ' ' ASP . 64.1 t0 -62.67 -39.06 92.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.9 82.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.285 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.85 -49.97 75.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.438 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -67.13 -37.29 83.57 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.408 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -63.7 -12.58 35.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.159 0.504 . . . . 0.0 110.317 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.54 -8.29 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.769 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 114' ' ' ASN . 39.4 t0 -88.08 96.45 10.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.897 0.38 . . . . 0.0 110.244 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 m -63.65 -41.1 98.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 28.6 p30 -83.74 -14.6 51.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.663 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 58.95 38.05 92.13 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 114' ' ' ASN . 49.1 p-10 -99.31 5.5 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.69 0.281 . . . . 0.0 110.315 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 82.19 11.59 82.09 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -140.49 154.64 46.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.873 0.368 . . . . 0.0 110.286 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.2 mt -118.64 117.0 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.023 0.439 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.522 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 4.8 p -95.68 -171.79 2.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.586 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.0 p -69.25 -40.82 77.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.397 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.8 p -74.65 -17.01 60.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.443 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 120' ' ' SER . 50.6 mt-10 -80.82 -14.07 58.38 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.497 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 89.4 mt -91.87 -21.3 20.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.663 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -63.93 -42.21 97.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.11 -40.25 86.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.79 -40.01 76.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 28.3 ttt -54.86 -39.01 68.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.232 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -62.92 -45.37 92.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.503 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -67.72 -46.9 70.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.996 0.427 . . . . 0.0 110.609 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' A' ' 131' ' ' LEU . 53.7 tp . . . . . 0 N--CA 1.452 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.724 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 7.3 mm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.061 0.458 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -88.71 -17.33 30.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.387 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -90.4 -39.85 12.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.384 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.97 -43.38 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 146' ' ' ARG . 6.2 tp -57.56 -39.14 67.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.607 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 145' ' ' ILE . 82.8 mtp180 -61.91 -44.85 95.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.621 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.93 -44.82 79.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.728 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.439 ' O ' ' SD ' ' A' ' 164' ' ' MET . 59.5 t -73.23 -51.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.483 ' OD2' ' CA ' ' A' ' 154' ' ' GLY . 44.3 t0 -85.26 69.5 10.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.858 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -82.35 10.23 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.451 ' OD1' ' OD1' ' A' ' 153' ' ' ASP . 3.4 t-20 -84.82 -29.31 25.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.676 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 88.95 2.59 77.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 153' ' ' ASP . 0.6 OUTLIER -81.05 -18.24 47.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.525 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.483 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 85.93 3.54 85.42 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -141.6 173.19 11.73 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.943 0.401 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.12 115.43 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -94.1 -167.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.39 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' PHE . . . . . 0.533 ' CG ' ' NH1' ' A' ' 105' ' ' ARG . 53.6 t80 -64.75 -42.96 94.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.649 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.23 -54.37 38.42 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.72 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 160' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 151' ' ' ASN . 90.4 mt-10 -61.98 -33.82 75.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.456 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -60.68 -47.22 87.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.59 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.5 -46.03 87.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.586 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -57.32 -44.76 84.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.516 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 164' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 148' ' ' VAL . 31.4 mmt -67.07 -36.31 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 165' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 165' ' ' MET . 2.9 tmm? . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.448 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.34 -18.7 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.29 -51.03 67.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.51 -14.5 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.996 0.427 . . . . 0.0 110.604 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 104' ' ' LEU . 10.6 mp -92.39 -44.23 8.81 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.276 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ARG . . . . . 0.632 ' NH2' ' NH2' ' A' ' 109' ' ' ARG . 59.0 ttt85 -60.97 -38.0 84.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.789 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -62.72 -44.22 96.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.18 90.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.362 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PHE . . . . . 0.478 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 81.1 t80 -61.03 -44.59 97.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.448 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ARG . . . . . 0.632 ' NH2' ' NH2' ' A' ' 105' ' ' ARG . 77.7 mmt-85 -58.6 -33.04 69.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -55.34 -51.42 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.732 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -62.03 -47.01 86.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.885 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ASP . . . . . 0.478 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 78.7 m-20 -77.95 69.0 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.621 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.0 m -62.13 -42.58 99.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASN . . . . . 0.435 ' OD1' ' N ' ' A' ' 114' ' ' ASN . 10.6 p30 -63.01 -30.61 71.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.23 18.98 56.54 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 31.9 p-10 -65.62 -18.7 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.489 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.12 -4.48 74.46 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' GLU . . . . . 0.406 ' O ' ' OD2' ' A' ' 116' ' ' ASP . 11.6 pt-20 -143.65 158.23 43.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.374 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 65.6 mt -107.19 113.48 43.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 110.007 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.2 m -94.35 -171.2 2.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 145' ' ' ILE . 1.1 p -70.66 -41.71 71.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . 0.408 ' HB2' HH21 ' A' ' 125' ' ' ARG . 62.1 p -74.17 -23.77 59.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.658 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -68.83 -23.86 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.618 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.82 -35.93 79.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.786 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ARG . . . . . 0.408 HH21 ' HB2' ' A' ' 122' ' ' SER . 83.7 mtm180 -57.17 -42.42 81.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.419 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.93 -38.17 82.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.73 77.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.368 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.2 ttm -49.5 -43.44 45.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.254 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -62.79 -44.99 94.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.505 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -64.7 -39.99 94.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.495 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 -179.733 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.1 mm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -54.63 -11.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.386 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -86.97 -38.72 16.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.71 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.49 -43.47 94.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 121' ' ' THR . 15.4 tt -61.02 -35.19 63.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.48 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -65.44 -41.04 93.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 57.4 t0 -63.09 -35.22 79.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 150' ' ' LEU . 35.5 t -91.15 -45.05 14.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.68 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 151' ' ' ASN . 28.2 t70 -71.7 44.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 68.4 mt -76.42 23.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.029 0.442 . . . . 0.0 110.334 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 149' ' ' ASP . 15.7 m120 -106.31 -3.4 21.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.694 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 62.18 61.79 6.3 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' ASP . . . . . 0.507 ' N ' ' OD1' ' A' ' 153' ' ' ASP . 18.7 p-10 -150.41 -28.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.664 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 154' ' ' GLY . . . . . 0.414 ' H ' ' CG ' ' A' ' 149' ' ' ASP . . . 87.03 11.96 69.04 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -135.95 150.6 49.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.0 0.428 . . . . 0.0 110.391 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 74.5 t -126.25 106.43 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.57 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -89.15 -168.85 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.496 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.43 -36.85 82.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.658 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.72 -52.0 62.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.939 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.16 -32.19 73.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.59 -47.7 84.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.409 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.24 -43.74 88.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -56.16 -43.26 78.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.216 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 14.8 tpt -58.07 -47.04 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.229 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 51.1 ttp . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.245 -179.831 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.9 mt 53.18 94.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.591 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.425 ' O ' ' OE2' ' A' ' 103' ' ' GLU . . . 153.65 -78.83 0.2 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.43 -23.1 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.741 0.305 . . . . 0.0 110.53 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -56.98 -72.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.471 ' OE2' ' N ' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -58.75 -20.37 48.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.539 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.614 HD13 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -67.51 -54.01 23.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -65.37 -22.64 66.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.99 -46.01 75.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.73 -37.24 86.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.65 -45.68 91.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.404 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -60.74 -42.54 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 113' ' ' THR . 41.7 tp10 -46.0 -62.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -61.49 -46.07 91.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.773 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 115' ' ' GLY . 10.9 t70 -82.75 51.15 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 110' ' ' GLU . 89.3 m -64.26 -44.6 91.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.629 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 38.9 p-10 -60.33 -42.11 94.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.411 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' A' ' 117' ' ' GLY . . . 126.8 -137.19 9.82 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 70.77 -22.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.703 0.287 . . . . 0.0 110.426 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.56 ' H ' ' C ' ' A' ' 115' ' ' GLY . . . 74.38 14.8 80.59 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 18.9 pt-20 -150.07 159.46 44.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.54 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.6 mt -110.33 125.82 67.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.529 ' OG ' ' NH1' ' A' ' 155' ' ' ARG . 5.8 m -98.48 -167.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.559 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 p -76.05 -35.8 59.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.682 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.6 m -80.84 -17.47 50.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.524 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 120' ' ' SER . 49.9 mt-10 -77.43 -70.94 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.642 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.443 ' O ' HD23 ' A' ' 124' ' ' LEU . 0.6 OUTLIER -48.19 -32.67 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.437 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.536 ' NH2' ' OE2' ' A' ' 142' ' ' GLU . 43.2 ttm180 -61.38 -43.83 98.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.61 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -62.54 -26.26 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.508 ' O ' HD13 ' A' ' 131' ' ' LEU . . . -84.56 -31.09 24.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 9.9 mmt -59.7 -39.91 86.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.296 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.32 -44.17 92.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.385 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.21 -41.43 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 127' ' ' ALA . 7.1 mp -62.22 -42.93 99.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.72 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.6 mp -83.62 -46.89 11.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.792 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 148.28 -95.62 0.17 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -153.06 127.52 9.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.66 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -138.63 111.37 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.778 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.94 -44.58 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.721 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.474 ' O ' ' NH1' ' A' ' 139' ' ' ARG . . . -123.1 -130.3 3.63 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 46.53 88.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.948 0.404 . . . . 0.0 110.614 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.474 ' NH1' ' O ' ' A' ' 137' ' ' GLY . 82.5 mmt-85 -101.6 126.91 48.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.57 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 139' ' ' ARG . 63.7 m-20 -161.88 13.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.524 ' H ' HD12 ' A' ' 141' ' ' ILE . 3.4 mp -69.42 -26.79 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.709 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.536 ' OE2' ' NH2' ' A' ' 125' ' ' ARG . 69.4 mm-40 -50.88 -15.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 141' ' ' ILE . 95.3 mt-10 -90.91 -37.97 13.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.594 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.04 -44.09 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.607 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 146' ' ' ARG . 7.2 tp -55.82 -36.66 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.413 ' N ' HG23 ' A' ' 145' ' ' ILE . 79.7 mtp85 -65.77 -38.77 89.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.586 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.464 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 14.9 m-20 -62.44 -40.06 95.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.403 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.8 t -79.91 -42.64 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -77.99 56.77 1.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.728 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 39.1 mt -88.62 12.15 15.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.438 HD21 ' NH2' ' A' ' 163' ' ' ARG . 7.5 m120 -102.16 -15.03 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.634 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.1 -8.08 58.5 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.7 p-10 -69.04 -26.25 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.552 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 88.17 1.63 81.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.529 ' NH1' ' OG ' ' A' ' 120' ' ' SER . 96.1 mtt-85 -143.74 169.97 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.651 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.25 122.46 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.548 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.42 ' OD1' ' CB ' ' A' ' 160' ' ' GLU . 49.6 p-10 -98.0 -160.43 0.8 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.546 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -74.1 -44.54 53.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 159' ' ' GLU . 58.9 mp0 -67.6 -45.53 75.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.42 ' CB ' ' OD1' ' A' ' 157' ' ' ASP . 78.1 tt0 -61.99 -35.02 77.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.466 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 161' ' ' PHE . 33.8 t80 -59.21 -45.53 90.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.15 -45.99 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.722 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ARG . . . . . 0.438 ' NH2' HD21 ' A' ' 151' ' ' ASN . 89.1 mtm180 -59.76 -38.05 80.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 14.8 tpt -60.63 -42.53 97.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.412 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 165' ' ' MET . . . . . 0.449 ' SD ' ' C ' ' A' ' 165' ' ' MET . 14.0 tmm? -65.64 -36.12 82.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.417 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 33.4 m -71.25 149.61 46.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.598 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 45.7 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 90.3 mt -96.63 125.28 49.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.324 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 123.61 -126.77 6.32 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 102' ' ' LYS . 31.2 m -64.4 -42.4 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.736 0.303 . . . . 0.0 110.507 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' N ' HG23 ' A' ' 101' ' ' VAL . 69.5 mmtt -47.73 -60.2 2.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.395 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.501 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 81.4 tt0 -52.66 -16.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 110.412 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -93.75 -43.74 8.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -68.96 -17.39 63.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.566 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 41.5 p-10 -60.9 -43.53 98.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.708 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.566 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -65.71 -36.76 84.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.97 0.414 . . . . 0.0 110.434 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.486 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 65.1 t80 -60.69 -43.46 97.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -62.16 -42.92 99.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.635 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -49.1 -55.31 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -61.14 -44.97 96.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.486 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.486 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 43.1 m-20 -75.19 65.67 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.665 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.9 m -62.58 -41.68 99.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.354 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -56.38 -40.27 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.121 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 97.52 7.12 57.11 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 47.5 p-10 -63.53 -28.2 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.948 0.404 . . . . 0.0 110.405 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 116' ' ' ASP . . . 97.05 2.89 59.18 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.451 ' OE1' ' NH2' ' A' ' 155' ' ' ARG . 98.2 mt-10 -142.85 157.6 44.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.491 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.52 116.0 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p -87.88 -172.69 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 121' ' ' THR . 1.3 p -73.03 -37.9 66.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.516 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.6 m -80.05 -20.53 45.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -76.14 -19.18 58.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.676 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.0 mt -76.27 -23.42 54.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -58.53 -43.99 89.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.247 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.511 ' OE2' ' NH2' ' A' ' 129' ' ' ARG . 69.8 mm-40 -64.04 -42.8 96.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.323 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.43 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.471 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.5 ttm -54.96 -49.0 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.528 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.511 ' NH2' ' OE2' ' A' ' 126' ' ' GLU . 86.1 mtm180 -64.25 -42.02 96.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.912 0.387 . . . . 0.0 111.007 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -64.1 -41.99 97.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.737 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.3 tp -63.59 -42.61 98.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.544 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.1 tp 64.62 14.9 9.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.683 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -80.24 -130.04 0.86 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -76.07 131.53 39.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.398 . . . . 0.0 110.616 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.447 ' O ' ' O ' ' A' ' 136' ' ' VAL . 26.1 pt20 -153.1 -28.04 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.631 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 137' ' ' GLY . 21.7 t 55.21 161.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.678 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.509 ' N ' HG12 ' A' ' 136' ' ' VAL . . . -61.02 -37.02 93.19 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -77.65 147.8 35.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.749 0.309 . . . . 0.0 110.569 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -63.32 133.95 54.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.468 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -137.9 20.92 2.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.53 -28.7 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.557 ' OE1' ' N ' ' A' ' 142' ' ' GLU . 56.8 mp0 -91.69 -10.18 41.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.565 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -92.93 -33.17 14.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.766 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 145' ' ' ILE . 21.3 tt -68.17 -40.4 82.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.802 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.494 ' N ' HG23 ' A' ' 144' ' ' ILE . 14.0 tt -57.52 -33.12 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.646 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -64.21 -40.45 96.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 99.1 m-20 -62.85 -42.37 99.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.971 0.415 . . . . 0.0 110.49 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.8 t -78.76 -43.3 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.507 ' OD1' ' ND2' ' A' ' 151' ' ' ASN . 51.7 t0 -75.85 57.57 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.883 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 46.3 mt -92.81 30.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.385 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.806 ' H ' HD22 ' A' ' 151' ' ' ASN . 0.0 OUTLIER -124.7 -17.42 5.93 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.76 -179.78 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 82.94 78.67 1.05 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.3 p-10 -157.43 -33.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.578 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 88.54 13.18 63.61 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.451 ' NH2' ' OE1' ' A' ' 118' ' ' GLU . 6.0 ptm180 -152.15 168.9 23.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.412 . . . . 0.0 110.365 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 45.3 t -126.56 113.15 32.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.44 -171.81 3.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.634 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -67.2 -40.91 86.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.766 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -66.87 -45.73 77.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.709 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.49 -38.24 89.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.305 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.58 -47.08 87.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.58 -47.42 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.656 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -54.92 -43.25 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.295 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.5 tpt -60.46 -46.33 90.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' MET . . . . . 0.42 ' SD ' HD21 ' A' ' 104' ' ' LEU . 43.5 ttm -65.36 -39.38 92.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.495 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 96.3 p -74.95 159.09 32.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.498 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.531 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mp -127.32 127.83 69.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.802 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.47 -119.65 5.19 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.0 -41.14 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.768 0.318 . . . . 0.0 110.42 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -51.7 -49.36 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -55.77 -19.75 12.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.373 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 mt -94.66 -51.17 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.709 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.55 -41.78 95.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.257 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -64.0 -41.26 97.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.452 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.86 88.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.385 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -61.95 -44.73 96.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -53.25 -42.56 66.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.328 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -44.61 -61.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.523 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -61.81 -45.83 92.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 114' ' ' ASN . 54.9 t0 -82.33 62.17 5.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.528 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.8 m -61.87 -44.78 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 114' ' ' ASN . 10.1 p-10 -60.43 -25.27 65.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.528 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 80.3 22.52 62.65 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 118' ' ' GLU . 44.8 p30 -66.74 -12.51 58.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.547 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.31 1.49 90.36 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 17.2 pt-20 -145.71 158.41 43.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.373 . . . . 0.0 110.546 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.29 115.89 50.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.414 ' H ' ' CG ' ' A' ' 123' ' ' GLU . 5.0 p -98.28 -170.88 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.5 p -69.84 -37.62 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.9 p -78.32 -16.39 57.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.425 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.414 ' CG ' ' H ' ' A' ' 120' ' ' SER . 76.7 mm-40 -76.29 -11.62 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.54 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 89.0 mt -93.22 -13.76 27.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.416 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.94 -39.82 90.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.433 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -68.35 -43.51 77.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.29 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.561 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.438 ' SD ' ' C ' ' A' ' 128' ' ' MET . 0.9 OUTLIER -64.93 -39.07 92.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.467 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -61.68 -41.91 98.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.4 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -79.29 -23.43 43.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.449 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.36 -37.41 85.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.437 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 60.63 16.79 6.88 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.417 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.72 96.62 0.85 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -67.22 -38.54 85.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.724 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -55.34 -30.07 59.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.721 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.6 t -75.67 130.85 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.597 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -70.57 140.56 32.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.414 ' O ' ' CD1' ' A' ' 141' ' ' ILE . 62.4 t-80 -67.63 -46.1 73.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.84 0.352 . . . . 0.0 110.772 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 -67.11 -38.53 85.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.625 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.691 ' C ' ' H ' ' A' ' 142' ' ' GLU . 92.3 m-20 -59.75 -101.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 138' ' ' HIS . 80.9 mt 61.26 -15.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.601 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.691 ' H ' ' C ' ' A' ' 140' ' ' ASP . 22.3 pt-20 -93.51 -12.31 29.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.647 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -95.33 -25.11 16.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.664 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 19.7 tt -64.93 -28.18 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 142' ' ' GLU . 20.2 tt -63.38 -31.24 52.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.631 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -60.77 -42.87 98.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.7 -50.23 73.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.594 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.7 t -73.39 -43.96 55.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.735 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 155' ' ' ARG . 46.0 t0 -88.78 65.91 7.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.816 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 16.4 mt -81.05 22.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.4 ' OD1' ' OE2' ' A' ' 160' ' ' GLU . 10.1 t-20 -93.21 -28.2 16.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.727 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 89.45 7.77 68.99 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 153' ' ' ASP . 39.1 p-10 -89.91 -24.58 21.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 110.684 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.434 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 94.37 3.64 63.01 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.521 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 87.6 mtm-85 -141.61 170.21 16.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 110.64 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.97 113.61 27.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -94.16 -167.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.441 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -67.76 -32.41 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -75.37 -53.63 8.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.771 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.4 ' OE2' ' OD1' ' A' ' 151' ' ' ASN . 93.3 mt-10 -60.14 -31.65 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.79 -46.27 82.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.797 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.0 -39.8 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.736 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.37 -35.66 74.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.745 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 164' ' ' MET . 0.7 OUTLIER -56.92 -47.31 80.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.531 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 60.9 mtt -68.26 -36.02 78.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.532 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.9 t -59.96 -44.1 94.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.43 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.5 ptp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.8 pt -129.19 163.37 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.582 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.96 -129.55 9.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 101' ' ' VAL . 28.2 t -41.71 -29.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -68.87 -69.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.747 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -54.29 -20.37 6.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.447 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.3 mp -87.06 -52.33 5.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -61.43 -39.33 90.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.177 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -62.0 -41.92 98.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.47 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.8 95.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.431 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.93 -43.39 98.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -55.68 -43.37 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.56 -54.74 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.628 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' A' ' 117' ' ' GLY . 34.5 t70 -85.97 58.62 5.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.4 m -61.22 -42.64 98.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.557 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.702 HD22 ' N ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -60.21 -21.3 61.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.528 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.679 ' H ' HD22 ' A' ' 114' ' ' ASN . . . 79.64 20.98 67.43 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.83 -20.27 65.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.459 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.499 ' H ' ' CG ' ' A' ' 112' ' ' ASP . . . 89.97 -7.27 81.99 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.444 ' O ' ' OE1' ' A' ' 123' ' ' GLU . 95.3 mt-10 -139.8 156.76 46.58 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 120.709 0.29 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.3 mt -109.28 120.15 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.289 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.443 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 5.6 t -97.46 -162.15 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.441 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 p -83.56 -30.78 26.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.3 m -86.84 -19.41 29.01 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.373 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 118' ' ' GLU . 46.7 mt-10 -69.94 -19.07 63.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.734 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.42 -18.32 58.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.585 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.01 -44.89 95.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 126' ' ' GLU . 56.8 mp0 -66.92 -40.54 87.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.461 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.26 95.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.276 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.8 tpp -45.43 -44.33 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.274 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.92 -43.9 97.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -64.84 -43.14 94.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.684 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 133' ' ' GLY . 58.3 tp -61.39 -41.63 97.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.306 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 tp 51.53 16.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.723 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.421 ' H ' ' HG ' ' A' ' 131' ' ' LEU . . . -53.71 163.29 2.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -76.2 -16.8 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.532 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -59.08 142.91 50.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.513 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.4 m -113.63 132.4 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.548 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -159.29 101.6 0.2 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.599 ' C ' ' H ' ' A' ' 140' ' ' ASP . 79.4 m80 -103.97 126.42 51.07 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.591 0.234 . . . . 0.0 110.534 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 63.64 -13.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.599 ' H ' ' C ' ' A' ' 138' ' ' HIS . 25.9 t70 -84.44 -98.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.448 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 141' ' ' ILE . 73.1 mt 59.65 -3.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.623 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.566 ' H ' ' C ' ' A' ' 140' ' ' ASP . 95.7 mt-10 -76.0 -12.26 60.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.622 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -91.66 -33.42 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.82 -43.71 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.537 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 12.5 tt -54.7 -35.59 33.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.538 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -60.98 -42.55 98.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.588 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -65.91 -49.92 66.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.062 0.458 . . . . 0.0 110.668 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 83.5 t -68.87 -44.52 81.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.485 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 155' ' ' ARG . 52.0 t0 -89.66 58.51 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.86 5.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.459 ' H ' ' C ' ' A' ' 149' ' ' ASP . 20.2 t-20 -66.92 -41.51 86.92 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.453 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 92.0 30.35 10.4 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -129.58 -11.98 4.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.616 0.246 . . . . 0.0 110.652 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.452 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 86.49 11.07 72.37 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.463 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 41.9 ttm180 -135.17 151.28 50.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.764 0.316 . . . . 0.0 110.569 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 3.3 t -133.03 102.55 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 21.6 t0 -86.21 -153.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.469 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.512 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 92.1 t80 -77.95 -36.18 49.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -75.24 -49.74 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.89 -27.39 68.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.455 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.27 -46.85 84.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.97 -32.8 59.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -53.66 -33.15 54.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.421 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.19 -43.09 87.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.476 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 36.2 tpp -65.19 -37.3 86.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.363 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.0 t -71.04 143.0 50.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.555 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.679 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' A' ' 98' ' ' MET . 2.4 mpt? . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 99' ' ' ILE . 3.5 mp -64.43 -45.11 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.605 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.13 -39.56 2.63 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 102' ' ' LYS . 28.7 m -64.03 -38.38 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.695 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 104' ' ' LEU . 88.6 tttt -58.32 -65.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -44.26 -20.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.543 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' LYS . 91.5 mt -95.19 -42.39 8.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -61.24 -35.38 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.564 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -61.98 -43.12 99.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.32 86.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -61.11 -41.2 96.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -62.34 -38.06 88.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.427 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -54.97 -50.94 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -61.88 -43.11 99.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.555 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.556 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 29.4 t0 -77.34 68.7 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.567 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 65.0 m -64.01 -42.3 97.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.493 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.584 HD21 ' CD ' ' A' ' 123' ' ' GLU . 0.9 OUTLIER -61.89 -39.72 92.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.599 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.488 ' N ' ' OD1' ' A' ' 112' ' ' ASP . . . 95.91 12.66 52.25 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 50.6 p-10 -63.37 -20.71 65.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.555 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 94.85 -0.16 64.52 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -144.34 157.39 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.528 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.2 mm -104.93 116.37 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.562 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.2 p -93.3 -164.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.538 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 31.9 p -85.19 -25.44 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.1 m -88.25 -19.56 26.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.584 ' CD ' HD21 ' A' ' 114' ' ' ASN . 50.3 mt-10 -70.53 -20.87 62.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.57 -35.02 76.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -48.98 -41.8 35.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.98 -39.07 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 130' ' ' LYS . . . -68.38 -41.82 80.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 85.4 mmm -46.83 -39.85 12.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.397 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.486 ' O ' HD21 ' A' ' 132' ' ' LEU . 83.9 mtt85 -62.71 -27.0 68.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' ALA . 65.6 tttm -81.03 -33.5 33.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 133' ' ' GLY . 10.9 mp -61.59 -42.95 99.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.413 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.486 HD21 ' O ' ' A' ' 129' ' ' ARG . 71.3 mt 45.81 14.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.501 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 131' ' ' LEU . . . -66.05 -43.35 93.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.586 ' ND1' ' N ' ' A' ' 134' ' ' HIS . 2.6 p-80 -173.27 121.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.709 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -99.23 83.94 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.756 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.02 -45.39 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.622 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 100.5 -25.69 27.38 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.586 ' ND1' ' N ' ' A' ' 139' ' ' ARG . 60.7 t-80 -87.23 171.76 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.604 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.586 ' N ' ' ND1' ' A' ' 138' ' ' HIS . 90.1 mtm180 -70.46 128.69 37.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.677 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.408 ' C ' ' OE1' ' A' ' 143' ' ' GLU . 41.1 t0 -166.37 2.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.611 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' A' ' 143' ' ' GLU . 67.6 mt -73.17 -41.23 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -53.76 -9.89 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.567 ' N ' ' OE1' ' A' ' 143' ' ' GLU . 52.2 mp0 -90.78 -36.27 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.45 -42.04 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.488 HG23 ' N ' ' A' ' 146' ' ' ARG . 4.3 tp -61.8 -40.92 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.488 ' N ' HG23 ' A' ' 145' ' ' ILE . 79.1 mtp85 -60.37 -45.93 91.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.548 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.21 -49.1 71.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.4 t -68.53 -44.99 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 151' ' ' ASN . 46.2 t0 -85.54 46.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.01 13.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.533 ' H ' ' C ' ' A' ' 149' ' ' ASP . 26.4 t-20 -79.38 -34.63 41.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.47 37.83 6.07 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 52.1 p-10 -124.82 -20.96 4.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 110.668 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.442 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 93.92 -0.8 67.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.462 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 89.9 mtm-85 -142.26 167.47 22.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 110.61 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.62 108.84 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -91.33 -164.6 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.77 -43.67 92.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -68.7 -53.53 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.592 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 155' ' ' ARG . 93.3 mt-10 -58.3 -32.3 68.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' A' ' 164' ' ' MET . 84.0 t80 -60.57 -47.65 85.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.635 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.49 -41.93 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.67 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -48.85 -23.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.488 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.513 ' SD ' ' C ' ' A' ' 164' ' ' MET . 3.2 ppp? -59.43 -36.26 75.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 165' ' ' MET . . . . . 0.412 ' N ' ' CG ' ' A' ' 164' ' ' MET . 3.8 mmt -66.08 -37.76 86.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.6 t -61.61 -42.44 98.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 64.2 ttm-85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.625 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.0 mmm . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.3 tt -53.37 146.38 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 102' ' ' LYS . . . 103.55 -104.45 2.5 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.0 t -43.86 -20.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.642 0.258 . . . . 0.0 110.529 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 100' ' ' GLY . 63.9 tttp -66.04 -71.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -52.16 -27.71 15.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.447 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 104' ' ' LEU . 10.9 mp -78.44 -47.38 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.29 -37.7 87.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.175 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.71 -47.0 88.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.28 98.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.32 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -61.87 -48.07 82.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.51 -38.58 91.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.334 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -51.58 -50.43 60.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.771 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -60.9 -45.95 92.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.763 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -51.44 96.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.506 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.5 m -87.88 -27.4 22.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.469 HD21 ' CG ' ' A' ' 116' ' ' ASP . 49.3 p30 -96.49 -19.43 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.677 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.469 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 77.0 25.65 63.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.469 ' CG ' HD21 ' A' ' 114' ' ' ASN . 36.5 p-10 -77.27 -3.48 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 110.463 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.6 87.85 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' 'CA ' ' A' ' 302' ' ' ' CA' . 12.5 pt-20 -147.87 160.15 43.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.566 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.92 124.42 70.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.262 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 p -117.66 -164.96 1.04 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.621 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 74.6 p -69.4 -43.77 72.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.5 t -66.33 -16.1 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.317 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 116' ' ' ASP . 50.0 mt-10 -94.7 -53.45 3.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.44 -39.29 83.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.413 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.421 ' HE ' HG13 ' A' ' 141' ' ' ILE . 43.3 ttm180 -55.75 -43.52 76.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.466 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.18 -19.99 66.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.38 -39.53 17.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 110.533 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 49.9 ttp -47.1 -24.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.405 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.65 -46.83 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.015 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 131' ' ' LEU . 17.0 ptmt -84.91 -40.64 16.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.478 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 133' ' ' GLY . 40.1 tp -63.14 -49.0 76.1 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.223 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 tp 43.54 16.0 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 131' ' ' LEU . . . -62.23 -38.98 97.09 Favored Glycine 0 CA--C 1.519 0.318 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -103.26 94.06 5.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.895 0.379 . . . . 0.0 110.717 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -69.23 -42.76 75.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.0 m -83.48 23.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 144' ' ' ILE . . . -62.83 -3.44 5.91 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 43.9 m80 56.26 170.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.685 0.279 . . . . 0.0 110.568 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -65.94 -37.86 87.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.605 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 143' ' ' GLU . 90.7 m-20 -75.67 117.08 17.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.537 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.421 HG13 ' HE ' ' A' ' 125' ' ' ARG . 15.2 mm -85.72 -12.43 11.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.63 -19.24 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.562 ' N ' ' OE1' ' A' ' 143' ' ' GLU . 57.2 mp0 -86.4 -41.21 14.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.494 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.455 HD11 ' HA3' ' A' ' 137' ' ' GLY . 96.9 mt -66.08 -43.54 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.702 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 145' ' ' ILE . 10.7 tp -62.99 -28.12 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.569 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -60.72 -42.35 97.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.504 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.66 -49.45 76.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.369 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 7.4 t -72.09 -42.83 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 110.639 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 151' ' ' ASN . 33.8 t70 -87.14 59.37 5.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.27 21.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.474 ' H ' ' C ' ' A' ' 149' ' ' ASP . 11.3 m120 -103.17 -16.13 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 74.19 6.82 75.81 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' A' ' 149' ' ' ASP . 44.2 p-10 -93.45 -21.09 19.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.876 0.37 . . . . 0.0 110.68 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 149' ' ' ASP . . . 83.88 12.68 76.68 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -134.39 146.26 49.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.499 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 53.6 t -119.97 134.19 64.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.358 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -116.6 -169.15 1.57 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -67.17 -44.98 78.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.005 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 160' ' ' GLU . 15.8 pt-20 -65.28 -43.06 92.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.619 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.442 ' N ' ' CG ' ' A' ' 159' ' ' GLU . 83.3 mt-10 -65.92 -32.21 73.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.41 -47.3 86.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.64 -43.25 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -56.19 -42.81 77.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.444 ' SD ' ' C ' ' A' ' 164' ' ' MET . 0.6 OUTLIER -59.84 -41.11 90.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 26.3 ttt -61.48 -43.46 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 167' ' ' ARG . 36.9 t -61.0 -43.83 98.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 167' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 166' ' ' SER . 74.4 ttp85 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.488 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . 0.691 'CA ' ' O ' ' A' ' 118' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.606 ' N ' ' SD ' ' A' ' 98' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.2 mt 50.15 91.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.74 -84.97 0.12 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.9 m -63.12 -36.01 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.608 0.242 . . . . 0.0 110.528 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -61.8 -58.77 6.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.425 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -56.94 -20.02 21.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.952 0.406 . . . . 0.0 110.808 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.1 mt -88.91 -44.59 10.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.418 ' NE ' ' CZ ' ' A' ' 158' ' ' PHE . 29.0 mmt180 -61.04 -36.26 79.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.449 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.75 -45.23 90.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.32 95.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.351 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -62.35 -46.29 89.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.63 -36.86 85.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.03 -47.27 71.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -66.06 -41.07 91.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.507 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.88 72.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.494 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.9 m -62.33 -42.34 99.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -62.57 -41.48 98.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.245 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.67 8.88 58.02 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.07 -18.83 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.459 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.46 -0.63 58.37 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 118' ' ' GLU . 56.2 mp0 -143.35 158.55 43.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.93 0.395 . . . . 0.0 110.485 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.4 mm -102.81 121.71 54.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.045 0.45 . . . . 0.0 110.496 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.455 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 2.7 m -84.99 -161.15 0.55 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.483 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -89.08 -26.94 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.441 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.3 p -88.64 -20.4 24.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 120' ' ' SER . 46.1 mt-10 -64.76 -22.31 66.96 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.731 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 124' ' ' LEU . 3.9 mm? -69.46 -33.26 72.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 58.4 ttm-85 -55.48 -44.41 76.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.16 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.99 -41.41 97.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.588 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 130' ' ' LYS . . . -66.1 -41.32 90.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.423 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.5 tpp -43.84 -43.06 6.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.444 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 133' ' ' GLY . 74.4 ttp85 -64.69 -39.27 93.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.421 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 127' ' ' ALA . 30.3 mmtp -63.62 -43.5 96.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.431 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 131' ' ' LEU . 11.1 mp -62.32 -42.88 99.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.74 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 132' ' ' LEU . 10.5 mp -87.03 -14.7 40.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.438 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . 69.15 -10.53 1.72 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.482 ' O ' ' O ' ' A' ' 135' ' ' GLN . 80.6 m80 -153.33 154.23 34.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.563 0.22 . . . . 0.0 110.558 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 134' ' ' HIS . 96.1 mt-30 57.02 141.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.159 0.504 . . . . 0.0 110.804 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 137' ' ' GLY . 19.3 m -66.46 -40.61 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.566 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.503 ' N ' HG23 ' A' ' 136' ' ' VAL . . . 126.1 156.61 9.31 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -67.6 -56.85 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.718 0.294 . . . . 0.0 110.683 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.425 ' CG ' ' H ' ' A' ' 140' ' ' ASP . 15.7 tpp180 -172.75 -127.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.425 ' H ' ' CG ' ' A' ' 139' ' ' ARG . 98.6 m-20 54.14 18.79 1.88 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.548 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 67.0 mt -73.8 -24.72 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.452 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 142' ' ' GLU . 49.9 mp0 -92.59 -9.43 41.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.379 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -94.0 -33.55 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.617 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 145' ' ' ILE . 21.0 tt -67.36 -40.4 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 149' ' ' ASP . 10.2 tp -56.91 -39.32 64.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.773 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.476 ' N ' HG23 ' A' ' 145' ' ' ILE . 62.2 ttp180 -63.77 -41.32 97.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.28 -38.08 87.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.576 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.3 t -88.91 -27.6 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.645 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 145' ' ' ILE . 36.4 t70 -90.73 44.15 1.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 58.6 mt -75.17 21.78 0.12 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.589 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.488 ' H ' ' C ' ' A' ' 149' ' ' ASP . 0.7 OUTLIER -97.53 -28.54 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.543 -179.66 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 90.37 10.53 63.74 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.402 ' OD2' ' OE2' ' A' ' 160' ' ' GLU . 11.7 m-20 -92.41 -25.43 18.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.456 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 97.34 1.25 59.32 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.428 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 0.0 OUTLIER -147.01 173.24 12.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.336 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.24 112.59 36.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.986 0.422 . . . . 0.0 110.465 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -91.7 -176.68 4.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.418 ' CZ ' ' NE ' ' A' ' 105' ' ' ARG . 69.0 t80 -63.22 -43.73 97.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.565 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.05 -47.73 81.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 151' ' ' ASN . 93.3 mt-10 -64.67 -37.81 88.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.309 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -60.56 -45.56 93.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.74 -48.25 87.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.551 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -54.81 -44.38 73.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.7 tpt -61.09 -45.87 92.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.427 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 59.0 tpp -66.61 -41.04 89.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.43 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 83.3 p -74.82 159.22 32.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.485 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.476 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 52.7 ttp . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.1 145.71 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.439 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.84 -88.86 1.08 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.16 -44.75 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 110.54 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -60.35 -59.28 5.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.652 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -51.88 -17.64 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.722 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.464 HD21 ' SD ' ' A' ' 165' ' ' MET . 58.4 mt -94.18 -48.85 6.01 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.657 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.481 HH12 ' NH1' ' A' ' 109' ' ' ARG . 73.1 ttp85 -63.22 -41.59 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.274 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -64.91 -42.36 94.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.546 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.0 92.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.414 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -63.36 -47.11 83.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.53 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.481 ' NH1' HH12 ' A' ' 105' ' ' ARG . 87.1 mtm180 -59.6 -33.28 71.28 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.402 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -54.5 -55.53 28.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 113' ' ' THR . 92.2 m-85 -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.515 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -60.53 75.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 111' ' ' PHE . 75.6 m -63.41 -43.52 97.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.442 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.449 ' HB2' 'CA ' ' A' ' 302' ' ' ' CA' . 24.5 m120 -64.25 -42.85 96.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.052 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.14 11.41 58.67 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 29.3 p-10 -71.72 -6.35 40.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.963 0.411 . . . . 0.0 110.642 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.27 -0.93 72.43 Favored Glycine 0 N--CA 1.461 0.346 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -138.74 156.81 47.06 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.039 0.447 . . . . 0.0 110.47 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.8 mm -104.99 115.94 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.091 0.472 . . . . 0.0 110.483 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.539 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 15.3 m -90.72 -175.42 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.44 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 56.9 p -71.65 -36.45 70.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.252 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.0 t -76.14 -22.68 55.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.238 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 120' ' ' SER . 44.5 mt-10 -71.56 -21.19 61.92 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.61 -18.45 44.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.625 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.52 -43.9 97.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -66.64 -40.38 88.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.69 -35.75 81.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.343 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -37.82 64.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.2 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -59.53 -46.49 88.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.52 -38.07 68.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.72 -52.45 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.437 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 38.3 mt -143.69 -48.58 0.3 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.845 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 163.05 -144.23 9.38 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.574 ' CG ' ' N ' ' A' ' 135' ' ' GLN . 85.5 t60 -152.44 166.68 31.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.879 0.371 . . . . 0.0 110.665 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.574 ' N ' ' CG ' ' A' ' 134' ' ' HIS . 55.9 tt0 56.53 70.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.2 p -142.58 146.97 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 42.23 -100.24 0.02 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 140' ' ' ASP . 50.0 p-80 -147.55 165.38 30.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.635 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -52.93 89.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.437 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 138' ' ' HIS . 35.4 p-10 -99.59 0.85 43.01 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.528 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.02 -43.31 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.5 -13.32 39.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.61 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -93.41 -30.27 15.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.72 -42.88 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.654 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 146' ' ' ARG . 8.9 tp -48.88 -36.71 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.424 ' N ' HG23 ' A' ' 145' ' ' ILE . 87.5 mtm180 -65.51 -38.17 88.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.607 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 64.9 t0 -59.96 -43.81 94.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.609 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 5.5 t -83.09 -43.27 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.625 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -72.92 56.3 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.913 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 62.2 mt -92.99 19.44 7.79 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.586 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.513 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 51.9 p-10 -113.21 -27.03 8.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 151' ' ' ASN . . . 94.28 80.1 1.47 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 41.9 p-10 -159.3 -34.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 96.4 -0.54 61.72 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.447 ' O ' ' OD2' ' A' ' 153' ' ' ASP . 99.6 mtt180 -145.38 173.25 12.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.608 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 11.4 t -119.51 114.55 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 121.081 0.467 . . . . 0.0 110.103 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 28.7 t70 -92.93 -175.41 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.504 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 76.3 t80 -63.98 -43.06 96.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.454 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.72 -44.38 77.75 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.513 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 80.0 tt0 -64.69 -35.63 81.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.351 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.86 -46.17 91.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 78.7 t -63.07 -45.89 97.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.457 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ARG . . . . . 0.4 ' O ' ' OG ' ' A' ' 166' ' ' SER . 17.8 mmm180 -57.62 -36.09 71.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.475 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.454 ' SD ' ' C ' ' A' ' 164' ' ' MET . 13.4 tmm? -60.88 -44.56 96.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 165' ' ' MET . . . . . 0.464 ' SD ' HD21 ' A' ' 104' ' ' LEU . 32.0 ttm -68.39 -38.73 81.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.557 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 166' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 163' ' ' ARG . 88.8 p -60.92 -35.57 77.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.374 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.613 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . 0.449 'CA ' ' HB2' ' A' ' 114' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 98' ' ' MET . 2.1 mpt? . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.2 pt -130.12 161.94 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.967 0.413 . . . . 0.0 110.68 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.99 -83.85 1.6 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.21 -43.92 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.501 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -61.19 -47.81 84.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.705 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.53 -17.66 34.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.206 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.3 mt -93.87 -49.91 5.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.499 ' NH1' ' NH2' ' A' ' 109' ' ' ARG . 74.3 ttp85 -61.07 -40.88 95.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.3 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -63.25 -41.93 99.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.26 98.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -62.19 -47.01 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.544 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.499 ' NH2' ' NH1' ' A' ' 105' ' ' ARG . 44.9 ttm180 -61.9 -42.31 98.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.446 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -48.23 -64.28 0.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.757 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.577 ' O ' ' N ' ' A' ' 113' ' ' THR . 66.1 m-85 -57.3 -37.99 73.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.24 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -57.02 75.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 110.67 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.577 ' N ' ' O ' ' A' ' 111' ' ' PHE . 16.6 m -68.85 -33.9 74.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.684 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -69.16 -39.79 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.28 11.81 77.43 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -83.05 -3.23 57.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.622 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.7 14.78 74.89 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -150.16 160.22 43.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.609 0.242 . . . . 0.0 110.451 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.7 mt -120.16 117.37 53.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.567 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.5 t -107.19 -168.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.487 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.5 p -66.9 -48.28 69.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.497 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 90.2 p -69.02 -13.08 62.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.214 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -95.81 -58.6 2.06 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.295 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.68 ' O ' HD23 ' A' ' 124' ' ' LEU . 1.4 tt -49.4 -33.68 14.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.6 ttt-85 -58.57 -44.06 89.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.352 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.49 -32.81 73.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.439 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.12 82.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.466 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' MET . . . . . 0.502 ' SD ' HG23 ' A' ' 141' ' ' ILE . 91.8 mtp -63.53 -40.4 96.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.347 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 133' ' ' GLY . 61.9 ttp180 -60.47 -46.27 90.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.128 0.489 . . . . 0.0 110.188 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -66.03 -33.16 75.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.358 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.16 -43.96 97.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.564 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.8 mt -131.52 -49.3 0.98 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.706 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . 91.26 6.84 66.09 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -152.68 134.92 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.559 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -98.31 148.0 24.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.94 -34.02 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.625 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 156.59 121.89 0.72 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.609 ' ND1' ' N ' ' A' ' 139' ' ' ARG . 55.2 t-80 43.27 -110.4 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.741 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.609 ' N ' ' ND1' ' A' ' 138' ' ' HIS . 56.6 ttp180 59.53 138.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -76.07 137.47 40.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 141' ' ' ILE . 95.9 mt -104.73 -3.69 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.507 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 145' ' ' ILE . 15.7 pt-20 -91.19 -9.56 44.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.495 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -93.45 -20.69 20.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.477 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 141' ' ' ILE . 19.0 tt -66.98 -33.04 60.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.565 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 142' ' ' GLU . 19.2 tt -62.02 -26.32 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.225 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.03 -43.76 98.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.496 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.17 -49.06 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.582 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.462 HG12 HG21 ' A' ' 156' ' ' VAL . 7.5 t -71.43 -44.92 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.666 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 151' ' ' ASN . 33.5 t70 -90.19 71.12 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.699 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 11.9 mt -84.35 22.7 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.544 HD22 ' CD ' ' A' ' 160' ' ' GLU . 11.4 p30 -108.36 -17.15 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.62 -2.51 78.41 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -73.5 -24.74 60.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.762 0.315 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 85.39 13.09 71.53 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.511 ' NH1' ' OD1' ' A' ' 157' ' ' ASP . 39.2 ptt85 -145.34 160.96 40.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.711 0.291 . . . . 0.0 110.267 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' VAL . . . . . 0.462 HG21 HG12 ' A' ' 148' ' ' VAL . 85.4 t -124.55 129.2 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.386 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.511 ' OD1' ' NH1' ' A' ' 155' ' ' ARG . 89.1 m-20 -105.68 -169.36 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -67.39 -44.62 78.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.784 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 160' ' ' GLU . 14.5 pt-20 -67.04 -43.71 82.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.835 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.544 ' CD ' HD22 ' A' ' 151' ' ' ASN . 94.8 mt-10 -66.71 -30.58 70.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.414 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.16 -45.18 95.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.544 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.64 -43.0 96.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -38.04 48.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.538 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.1 -44.13 82.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' MET . . . . . 0.568 ' N ' ' SD ' ' A' ' 165' ' ' MET . 0.0 OUTLIER -64.15 -40.64 96.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.298 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 34.1 t -71.15 146.89 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.551 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.51 -43.76 98.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.43 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 159.77 -42.64 0.45 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 90.2 t -46.63 -40.0 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.544 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -58.36 -50.65 72.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.605 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.98 -20.11 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 0.0 110.345 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.06 -42.26 11.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -68.46 -23.68 64.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.291 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -71.75 -44.34 64.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.85 97.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.263 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.97 -47.58 85.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.473 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -60.5 -42.97 97.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -61.31 -19.47 61.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.514 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -93.08 -30.98 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.658 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 44.4 t0 -81.87 86.69 6.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.487 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.5 m -63.55 -41.6 98.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.446 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 92.8 m-20 -64.06 -40.47 96.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.786 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.5 11.79 68.22 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 32.1 p-10 -79.7 -1.99 40.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.797 0.332 . . . . 0.0 110.513 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.53 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 86.18 10.54 74.46 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -141.32 155.69 45.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.737 0.303 . . . . 0.0 110.335 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.8 mm -108.68 120.04 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.964 0.411 . . . . 0.0 110.395 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.535 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 13.5 m -86.1 -171.34 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.325 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 p -75.5 -34.58 60.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.285 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 t -79.93 -25.23 40.57 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 120' ' ' SER . 47.3 mt-10 -68.46 -27.17 65.93 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.777 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 66.2 mt -67.98 -38.89 83.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.858 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.599 HH21 ' NE2' ' A' ' 135' ' ' GLN . 79.1 ttt-85 -58.31 -43.47 88.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.448 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.29 -39.91 94.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.911 0.386 . . . . 0.0 110.427 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.4 70.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.4 tpt -65.1 -40.57 94.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.389 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 133' ' ' GLY . 62.6 ttp180 -62.86 -44.23 96.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.397 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -71.27 -36.28 71.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.013 0.435 . . . . 0.0 110.614 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.12 -46.02 92.28 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.655 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 72.3 mt -96.15 -25.43 15.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.482 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . 88.92 -2.16 83.91 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -151.64 142.3 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.643 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.599 ' NE2' HH21 ' A' ' 125' ' ' ARG . 10.5 tt0 -71.55 119.25 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.654 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 78.4 t -64.45 -45.01 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.685 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 176.63 143.01 4.59 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -65.75 -40.56 92.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.344 . . . . 0.0 110.619 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -57.7 -32.27 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.542 ' CG ' ' H ' ' A' ' 141' ' ' ILE . 29.4 t0 -74.8 -148.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.241 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.542 ' H ' ' CG ' ' A' ' 140' ' ' ASP . 59.5 mt 64.39 -63.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 O-C-N 123.58 0.55 . . . . 0.0 110.4 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 140' ' ' ASP . 12.7 pt-20 -53.92 -12.16 0.53 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 141' ' ' ILE . 83.6 tt0 -94.03 -29.31 15.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.3 -42.85 88.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 13.4 tt -52.47 -34.95 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.573 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -62.57 -42.4 99.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.763 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 64.2 t0 -64.54 -47.13 79.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.606 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.0 t -71.44 -44.9 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.746 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -80.08 72.31 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.668 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 37.6 mt -106.32 22.37 15.86 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 50.5 p30 -119.71 -5.58 10.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.712 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 69.34 69.18 1.44 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.7 p-10 -140.64 -29.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.672 0.273 . . . . 0.0 110.705 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 94.15 -7.4 72.69 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.431 ' O ' ' OD2' ' A' ' 153' ' ' ASP . 84.6 mtt85 -141.55 -173.67 3.83 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.634 0.254 . . . . 0.0 110.475 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.9 t -126.54 114.97 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.357 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -86.79 179.03 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.302 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -64.56 -44.34 91.06 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.604 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -66.48 -44.14 83.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.903 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.531 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 81.6 tt0 -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.93 -46.62 84.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.14 -47.84 91.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.88 0.372 . . . . 0.0 110.652 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -56.21 -42.23 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.007 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 18.1 tpt -63.37 -37.82 88.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.407 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 36.1 ttm -64.17 -18.69 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 30.7 t -61.66 -42.72 99.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.56 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.583 -179.831 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 39.7 mm -63.3 -44.29 99.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.51 6.74 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.4 -22.55 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.766 0.317 . . . . 0.0 110.46 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.81 -56.77 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -55.2 -15.11 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.508 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.2 mp -94.06 -51.08 5.01 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.31 -42.34 98.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.325 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.88 -40.83 95.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.635 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.53 96.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -54.3 -45.67 72.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -59.32 -40.85 87.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.374 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.89 -22.41 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -90.45 -39.31 12.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.54 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -77.59 84.13 3.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.928 0.394 . . . . 0.0 110.308 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.9 m -65.08 -38.72 91.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.654 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -67.99 -41.11 82.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.92 3.84 73.04 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -63.81 -42.13 97.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 129.96 7.91 3.56 Favored Glycine 0 N--CA 1.465 0.585 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -149.97 159.61 44.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.852 0.358 . . . . 0.0 110.369 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.4 mm -110.65 115.32 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.498 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.7 p -85.53 176.8 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.594 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.44 HG22 HD13 ' A' ' 145' ' ' ILE . 20.8 p -63.37 -44.4 94.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.389 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 81.9 p -78.39 -18.6 54.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.334 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -73.86 -15.64 61.15 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.352 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.1 mt -75.83 -25.66 56.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -58.56 -42.53 88.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.77 -41.71 95.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.392 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.39 70.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.48 -39.79 95.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 133' ' ' GLY . 44.0 ttm180 -61.45 -44.79 96.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.474 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.57 -34.79 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.26 -43.99 97.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.643 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 56.8 tp -132.4 -47.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . 52.33 98.64 0.01 OUTLIER Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 136' ' ' VAL . 28.6 p-80 -145.92 81.27 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.655 0.264 . . . . 0.0 110.693 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 53.89 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 134' ' ' HIS . 27.1 m -125.06 158.98 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.457 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -94.13 112.88 4.42 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -66.34 -40.79 90.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.731 0.3 . . . . 0.0 110.568 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -79.35 143.5 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -66.76 133.65 50.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 141' ' ' ILE . 76.7 mt -83.72 -14.24 11.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -90.05 -11.25 42.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.418 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.81 -33.1 12.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.702 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 145' ' ' ILE . 20.0 tt -66.04 -37.79 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.655 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 121' ' ' THR . 14.6 tt -55.9 -28.46 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.409 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -59.13 -44.98 92.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.437 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -68.36 -42.6 78.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.438 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.488 HG22 ' SD ' ' A' ' 164' ' ' MET . 89.1 t -67.99 -45.87 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.516 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 154' ' ' GLY . 40.3 t0 -91.13 82.16 5.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.538 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.5 mt -102.78 24.13 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.745 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -114.12 -8.15 13.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLY . . . . . 0.437 ' O ' ' OD1' ' A' ' 153' ' ' ASP . . . 68.21 63.57 3.54 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 152' ' ' GLY . 78.9 m-20 -136.36 -21.62 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.314 . . . . 0.0 110.601 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 149' ' ' ASP . . . 84.65 11.85 76.4 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -151.33 -178.27 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.396 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.18 107.17 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -90.49 -171.39 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.39 -46.09 88.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.696 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -69.38 -42.75 74.75 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.433 ' OE2' ' OD2' ' A' ' 153' ' ' ASP . 93.4 mt-10 -65.0 -32.54 74.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.493 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.23 -42.12 98.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.523 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.24 -45.2 93.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.561 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -53.11 -38.52 62.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.251 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.488 ' SD ' HG22 ' A' ' 148' ' ' VAL . 52.7 ttp -62.36 -40.18 95.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 165' ' ' MET . . . . . 0.434 ' SD ' ' C ' ' A' ' 165' ' ' MET . 1.2 tmt? -62.61 -37.49 86.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.486 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 66.7 m -59.86 -44.13 94.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.619 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--O 1.218 -0.601 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.591 179.879 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . 0.494 ' N ' ' SD ' ' A' ' 98' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 39.5 pt -129.76 162.8 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.83 -87.15 1.55 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 15.5 m -60.31 -40.24 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.593 0.235 . . . . 0.0 110.494 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -62.46 -52.88 61.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.538 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -61.97 -15.19 41.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.059 0.457 . . . . 0.0 110.524 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.4 mt -93.4 -43.97 8.5 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.663 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -63.02 -38.99 93.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.386 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.21 -43.27 99.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.31 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.23 86.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.524 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 69.6 t80 -60.19 -45.14 94.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -59.63 -32.1 70.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.697 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -56.89 -52.7 64.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' THR . 84.4 m-85 -61.96 -44.68 96.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.524 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 13.0 m-20 -63.28 72.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.752 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 111' ' ' PHE . 13.2 m -65.22 -37.12 86.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.529 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 37.4 p30 -80.33 -30.64 38.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.693 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 85.93 21.7 51.96 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.467 ' CG ' HD21 ' A' ' 114' ' ' ASN . 37.3 p-10 -72.03 -6.74 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.528 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.55 4.47 89.15 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 13.5 pt-20 -150.62 160.73 43.61 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.081 0.467 . . . . 0.0 110.523 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.9 mm -104.42 115.52 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 121.296 0.569 . . . . 0.0 110.377 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.8 p -93.98 -175.88 3.84 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.1 p -68.76 -37.81 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.437 ' O ' ' OE1' ' A' ' 126' ' ' GLU . 32.1 t -78.92 -20.6 48.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.455 ' OE2' ' N ' ' A' ' 113' ' ' THR . 37.5 tp10 -69.7 -25.34 63.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.355 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.1 mt -74.85 -25.42 58.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -60.43 -43.78 96.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.562 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 122' ' ' SER . 57.4 mp0 -66.47 -37.32 84.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.65 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.65 78.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -36.04 6.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.58 ' O ' HD21 ' A' ' 132' ' ' LEU . 96.1 mtt-85 -63.23 -37.44 87.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -83.79 -39.48 19.95 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.481 ' C ' ' N ' ' A' ' 133' ' ' GLY . 47.2 tp -62.02 -43.17 99.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.519 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.58 HD21 ' O ' ' A' ' 129' ' ' ARG . 75.8 mt 46.23 15.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.38 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.481 ' N ' ' C ' ' A' ' 131' ' ' LEU . . . -64.0 -36.48 93.32 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 135' ' ' GLN . 78.4 m80 -135.25 168.03 19.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.892 0.377 . . . . 0.0 110.574 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 134' ' ' HIS . 76.5 mt-30 -42.0 -95.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.721 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.6 m -149.52 21.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.605 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 96.78 105.94 2.31 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -61.26 -44.49 97.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.512 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -93.92 -88.76 0.23 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 142' ' ' GLU . 33.6 p-10 -158.0 42.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.729 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.719 ' O ' HG22 ' A' ' 141' ' ' ILE . 89.1 mt 51.81 10.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.277 0.561 . . . . 0.0 110.721 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 140' ' ' ASP . 73.8 tt0 -82.39 -11.87 58.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -90.41 -32.11 16.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.616 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.27 -43.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.621 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 146' ' ' ARG . 20.4 tt -61.08 -37.69 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.411 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 149' ' ' ASP . 44.9 ttm180 -60.21 -30.54 69.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.224 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -72.31 -62.84 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.428 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.12 -47.73 91.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.353 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 146' ' ' ARG . 46.6 t0 -95.7 166.91 11.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.083 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mt 166.63 30.52 0.0 OUTLIER 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.676 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -95.69 -2.53 47.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.832 0.349 . . . . 0.0 110.712 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 69.88 63.77 3.19 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 50.0 p-10 -163.54 -28.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.965 0.412 . . . . 0.0 110.694 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.53 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 83.4 15.64 70.93 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -123.67 137.64 54.68 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.897 0.38 . . . . 0.0 110.569 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 71.5 t -123.5 103.97 13.62 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.475 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 24.3 t0 -88.63 -157.13 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.548 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 67.6 t80 -76.09 -31.12 58.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.698 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.68 -56.96 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.661 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -60.32 -31.8 70.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.515 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.93 -46.53 84.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.75 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 162' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 158' ' ' PHE . 74.1 t -65.63 -41.27 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.582 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -49.07 -27.43 3.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.63 -44.49 96.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.495 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -41.92 98.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.176 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 77.7 p -62.81 -39.63 94.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.987 0.422 . . . . 0.0 110.449 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.508 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.0 pt -139.7 -1.28 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.702 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.83 -168.15 42.24 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 63.6 t -53.32 -19.36 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.674 0.273 . . . . 0.0 110.434 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.73 -71.24 0.15 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.996 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -49.95 -28.64 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.375 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.0 mt -79.69 -44.38 20.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.76 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -63.99 -36.57 84.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.88 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.4 -43.69 85.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.008 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.77 88.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.559 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -60.29 -44.48 95.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.32 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -58.17 -42.12 85.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.414 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -44.79 -61.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.577 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.73 -46.7 88.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.2 60.27 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.455 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.0 m -61.39 -43.56 98.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 32.9 p30 -59.77 -30.29 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 88.12 21.97 43.53 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.517 ' OD2' ' ND2' ' A' ' 114' ' ' ASN . 98.9 m-20 -67.48 -15.81 63.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.538 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 86.36 -3.02 87.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -148.88 159.08 44.51 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 54.8 mt -108.81 121.83 62.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 110.041 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.532 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 4.9 t -96.67 -170.45 2.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.426 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.9 p -70.61 -41.69 71.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.361 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -74.98 -23.4 58.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 120' ' ' SER . 49.8 mt-10 -70.48 -26.69 63.73 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.999 0.428 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.26 -34.65 73.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.872 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.57 -42.35 96.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.627 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -60.84 -43.44 98.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.38 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.1 67.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.766 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.9 ttt -53.05 -43.08 66.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.323 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.39 -48.5 81.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -65.37 -42.34 92.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.565 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.12 -47.52 84.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.09 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.578 ' O ' HD13 ' A' ' 132' ' ' LEU . 0.2 OUTLIER -68.14 -43.5 78.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.02 0.438 . . . . 0.0 110.748 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 134.37 -129.95 5.39 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -86.71 -11.68 50.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.729 0.3 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -89.48 163.91 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.3 t -121.63 131.39 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.508 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -70.64 143.43 36.86 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -102.78 1.33 34.09 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.61 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.79 159.9 32.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.577 ' C ' ' H ' ' A' ' 142' ' ' GLU . 33.8 p30 -67.62 -16.05 63.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.604 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 141' ' ' ILE . 77.0 mt 60.17 -6.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.859 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' GLU . . . . . 0.577 ' H ' ' C ' ' A' ' 140' ' ' ASP . 95.8 mt-10 -73.65 -9.7 58.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.603 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.72 -33.2 15.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.573 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.92 -43.41 97.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 146' ' ' ARG . 20.7 tt -61.83 -36.73 75.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.45 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.411 ' N ' HG23 ' A' ' 145' ' ' ILE . 77.4 ttt180 -60.41 -42.4 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.55 -24.58 66.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.428 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 87.3 t -91.6 -48.24 13.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 151' ' ' ASN . 98.1 m-20 -76.94 49.52 0.66 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.75 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.04 23.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.649 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.568 HD21 ' CD ' ' A' ' 160' ' ' GLU . 18.0 p30 -129.29 0.87 5.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.823 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 71.94 70.96 1.12 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.446 ' OD2' ' OE2' ' A' ' 160' ' ' GLU . 98.3 m-20 -136.12 -44.76 0.64 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 91.96 1.35 70.35 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ARG . . . . . 0.425 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 88.9 mtm180 -143.37 166.69 24.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 110.49 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.64 118.79 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.434 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -100.1 -168.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.253 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -64.52 -44.72 89.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.725 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -66.86 -47.95 70.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.045 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.568 ' CD ' HD21 ' A' ' 151' ' ' ASN . 89.8 mt-10 -64.25 -34.57 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.417 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -61.14 -43.35 99.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.62 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.28 -44.89 96.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.652 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ARG . . . . . 0.428 HH21 ' CG ' ' A' ' 160' ' ' GLU . 90.9 mtm-85 -60.94 -38.54 86.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.3 ttt -60.1 -47.37 86.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.808 0.337 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 97.6 mmm -68.65 -37.36 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 49.1 m -59.23 -42.69 91.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.494 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.303 -179.768 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 77.6 mtm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.8 mm -114.44 127.66 71.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.448 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.472 ' H ' ' HG2' ' A' ' 103' ' ' GLU . . . 128.06 -100.88 0.54 Allowed Glycine 0 N--CA 1.466 0.671 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 101' ' ' VAL . 4.3 m -62.42 -33.78 61.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 110.503 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -59.23 -67.58 0.36 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.76 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.472 ' HG2' ' H ' ' A' ' 100' ' ' GLY . 16.3 pt-20 -52.32 -14.88 0.51 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.0 mt -90.47 -46.2 8.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.679 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.533 ' NH1' ' CG ' ' A' ' 158' ' ' PHE . 15.5 tpt180 -62.1 -38.75 90.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.419 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 106' ' ' ASP . 64.1 t0 -62.67 -39.06 92.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.9 82.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.285 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.85 -49.97 75.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.438 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -67.13 -37.29 83.57 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.408 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -63.7 -12.58 35.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.159 0.504 . . . . 0.0 110.317 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.54 -8.29 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.769 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 116' ' ' ASP . 39.4 t0 -88.08 96.45 10.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.897 0.38 . . . . 0.0 110.244 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 m -63.65 -41.1 98.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 28.6 p30 -83.74 -14.6 51.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.663 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 58.95 38.05 92.13 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 114' ' ' ASN . 49.1 p-10 -99.31 5.5 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.69 0.281 . . . . 0.0 110.315 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 82.19 11.59 82.09 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.629 ' O ' 'CA ' ' A' ' 302' ' ' ' CA' . 79.5 mt-10 -140.49 154.64 46.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.873 0.368 . . . . 0.0 110.286 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.2 mt -118.64 117.0 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.023 0.439 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.522 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 4.8 p -95.68 -171.79 2.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.586 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.0 p -69.25 -40.82 77.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.397 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.8 p -74.65 -17.01 60.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.443 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 120' ' ' SER . 50.6 mt-10 -80.82 -14.07 58.38 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.497 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 89.4 mt -91.87 -21.3 20.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.663 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -63.93 -42.21 97.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.11 -40.25 86.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.79 -40.01 76.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 28.3 ttt -54.86 -39.01 68.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.232 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -62.92 -45.37 92.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.503 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -67.72 -46.9 70.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.996 0.427 . . . . 0.0 110.609 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' A' ' 133' ' ' GLY . 53.7 tp -64.95 -41.96 95.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.724 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 tp 61.91 3.3 0.9 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.806 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' GLY . . . . . 0.431 ' H ' ' HG ' ' A' ' 131' ' ' LEU . . . -83.89 167.11 43.63 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 41.39 80.55 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -82.85 63.96 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.062 0.458 . . . . 0.0 110.357 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.0 p -146.55 146.67 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.451 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 79.0 20.52 70.13 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -68.52 -2.78 9.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.658 0.266 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ARG . . . . . 0.414 ' O ' ' OD1' ' A' ' 140' ' ' ASP . 94.9 mtt-85 -62.75 -45.45 92.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.563 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 139' ' ' ARG . 62.2 m-20 -162.12 16.46 0.09 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.651 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 7.3 mm 54.73 31.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.427 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -88.71 -17.33 30.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.387 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -90.4 -39.85 12.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.384 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.97 -43.38 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 146' ' ' ARG . 6.2 tp -57.56 -39.14 67.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.607 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 145' ' ' ILE . 82.8 mtp180 -61.91 -44.85 95.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.621 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.93 -44.82 79.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.728 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.439 ' O ' ' SD ' ' A' ' 164' ' ' MET . 59.5 t -73.23 -51.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.483 ' OD2' ' CA ' ' A' ' 154' ' ' GLY . 44.3 t0 -85.26 69.5 10.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.858 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -82.35 10.23 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.451 ' OD1' ' OD1' ' A' ' 153' ' ' ASP . 3.4 t-20 -84.82 -29.31 25.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.676 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 88.95 2.59 77.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 153' ' ' ASP . 0.6 OUTLIER -81.05 -18.24 47.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.525 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.483 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 85.93 3.54 85.42 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -141.6 173.19 11.73 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.943 0.401 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.12 115.43 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -94.1 -167.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.39 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' PHE . . . . . 0.533 ' CG ' ' NH1' ' A' ' 105' ' ' ARG . 53.6 t80 -64.75 -42.96 94.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.649 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.23 -54.37 38.42 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.72 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 151' ' ' ASN . 90.4 mt-10 -61.98 -33.82 75.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.456 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -60.68 -47.22 87.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.59 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.5 -46.03 87.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.586 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -57.32 -44.76 84.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.516 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 164' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 148' ' ' VAL . 31.4 mmt -67.07 -36.31 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 165' ' ' MET . . . . . 0.495 ' SD ' ' O ' ' A' ' 165' ' ' MET . 2.9 tmm? -60.65 -40.62 92.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.448 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 17.5 m -45.53 -42.35 10.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.434 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.534 179.71 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . 0.629 'CA ' ' O ' ' A' ' 118' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 77.5 mtm . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.496 HG23 ' N ' ' A' ' 100' ' ' GLY . 21.2 tt -67.66 -40.87 84.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.674 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLY . . . . . 0.496 ' N ' HG23 ' A' ' 99' ' ' ILE . . . 173.23 -26.77 0.09 OUTLIER Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.34 -18.7 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.29 -51.03 67.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.51 -14.5 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.996 0.427 . . . . 0.0 110.604 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 104' ' ' LEU . 10.6 mp -92.39 -44.23 8.81 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.276 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ARG . . . . . 0.632 ' NH2' ' NH2' ' A' ' 109' ' ' ARG . 59.0 ttt85 -60.97 -38.0 84.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.789 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -62.72 -44.22 96.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.18 90.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.362 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PHE . . . . . 0.478 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 81.1 t80 -61.03 -44.59 97.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.448 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ARG . . . . . 0.632 ' NH2' ' NH2' ' A' ' 105' ' ' ARG . 77.7 mmt-85 -58.6 -33.04 69.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -55.34 -51.42 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.732 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -62.03 -47.01 86.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.885 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.478 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 78.7 m-20 -77.95 69.0 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.621 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.0 m -62.13 -42.58 99.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASN . . . . . 0.776 HD22 ' H ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -63.01 -30.61 71.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . 0.776 ' H ' HD22 ' A' ' 114' ' ' ASN . . . 87.23 18.98 56.54 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 31.9 p-10 -65.62 -18.7 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.489 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.12 -4.48 74.46 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' GLU . . . . . 0.406 ' O ' ' OD2' ' A' ' 116' ' ' ASP . 11.6 pt-20 -143.65 158.23 43.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.374 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 65.6 mt -107.19 113.48 43.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 110.007 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.2 m -94.35 -171.2 2.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 145' ' ' ILE . 1.1 p -70.66 -41.71 71.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.408 ' HB2' HH21 ' A' ' 125' ' ' ARG . 62.1 p -74.17 -23.77 59.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.658 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -68.83 -23.86 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.618 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.82 -35.93 79.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.786 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.408 HH21 ' HB2' ' A' ' 122' ' ' SER . 83.7 mtm180 -57.17 -42.42 81.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.419 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.93 -38.17 82.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.73 77.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.368 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.2 ttm -49.5 -43.44 45.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.254 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ARG . . . . . 0.601 ' O ' HD22 ' A' ' 132' ' ' LEU . 83.5 mtp180 -62.79 -44.99 94.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -64.7 -39.99 94.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.495 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.92 -19.49 30.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.601 HD22 ' O ' ' A' ' 129' ' ' ARG . 1.3 mm? 55.21 15.4 1.28 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.453 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -68.57 -38.66 86.57 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -147.35 121.41 9.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.607 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.38 -39.78 92.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.739 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.4 m -86.85 47.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.64 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.53 90.74 0.08 OUTLIER Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.436 ' O ' ' CG ' ' A' ' 138' ' ' HIS . 55.2 t-80 -155.21 10.87 0.33 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.739 0.304 . . . . 0.0 110.545 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -74.72 -163.21 0.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -79.24 90.91 4.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.006 0.432 . . . . 0.0 110.38 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.1 mm -68.65 -24.48 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -54.63 -11.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.386 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -86.97 -38.72 16.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.71 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.49 -43.47 94.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 121' ' ' THR . 15.4 tt -61.02 -35.19 63.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.48 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -65.44 -41.04 93.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 57.4 t0 -63.09 -35.22 79.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 150' ' ' LEU . 35.5 t -91.15 -45.05 14.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.68 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 151' ' ' ASN . 28.2 t70 -71.7 44.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 68.4 mt -76.42 23.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.029 0.442 . . . . 0.0 110.334 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 149' ' ' ASP . 15.7 m120 -106.31 -3.4 21.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.694 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 62.18 61.79 6.3 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 153' ' ' ASP . 18.7 p-10 -150.41 -28.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.664 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 154' ' ' GLY . . . . . 0.414 ' H ' ' CG ' ' A' ' 149' ' ' ASP . . . 87.03 11.96 69.04 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -135.95 150.6 49.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.0 0.428 . . . . 0.0 110.391 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 74.5 t -126.25 106.43 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.57 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -89.15 -168.85 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.496 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.43 -36.85 82.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.658 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.72 -52.0 62.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.939 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.16 -32.19 73.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.59 -47.7 84.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.409 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.24 -43.74 88.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -56.16 -43.26 78.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.216 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 14.8 tpt -58.07 -47.04 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.229 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 51.1 ttp -65.0 -38.59 91.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.245 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 34.7 t -63.17 -43.23 98.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.527 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.658 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.425 ' O ' ' OE2' ' A' ' 103' ' ' GLU . . . . . . . . 0 CA--C 1.526 0.72 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.43 -23.1 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.741 0.305 . . . . 0.0 110.53 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -56.98 -72.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.471 ' OE2' ' N ' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -58.75 -20.37 48.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.539 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.614 ' O ' HD13 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -67.51 -54.01 23.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -65.37 -22.64 66.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.99 -46.01 75.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.73 -37.24 86.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.65 -45.68 91.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.404 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -60.74 -42.54 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 113' ' ' THR . 41.7 tp10 -46.0 -62.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -61.49 -46.07 91.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.773 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 115' ' ' GLY . 10.9 t70 -82.75 51.15 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 110' ' ' GLU . 89.3 m -64.26 -44.6 91.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.629 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 38.9 p-10 -60.33 -42.11 94.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.411 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' A' ' 117' ' ' GLY . . . 126.8 -137.19 9.82 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 70.77 -22.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.703 0.287 . . . . 0.0 110.426 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.56 ' H ' ' C ' ' A' ' 115' ' ' GLY . . . 74.38 14.8 80.59 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 18.9 pt-20 -150.07 159.46 44.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.54 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.6 mt -110.33 125.82 67.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.529 ' OG ' ' NH1' ' A' ' 155' ' ' ARG . 5.8 m -98.48 -167.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.559 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 p -76.05 -35.8 59.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.682 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.6 m -80.84 -17.47 50.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.524 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 120' ' ' SER . 49.9 mt-10 -77.43 -70.94 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.642 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -48.19 -32.67 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.437 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.536 ' NH2' ' OE2' ' A' ' 142' ' ' GLU . 43.2 ttm180 -61.38 -43.83 98.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.61 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -62.54 -26.26 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.508 ' O ' HD13 ' A' ' 131' ' ' LEU . . . -84.56 -31.09 24.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 9.9 mmt -59.7 -39.91 86.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.296 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.32 -44.17 92.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.385 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.21 -41.43 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 127' ' ' ALA . 7.1 mp . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.72 -179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.406 ' C ' ' N ' ' A' ' 143' ' ' GLU . 3.4 mp . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.849 0.357 . . . . 0.0 110.709 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.536 ' OE2' ' NH2' ' A' ' 125' ' ' ARG . 69.4 mm-40 -50.88 -15.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 141' ' ' ILE . 95.3 mt-10 -90.91 -37.97 13.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.594 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.04 -44.09 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.607 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 146' ' ' ARG . 7.2 tp -55.82 -36.66 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.413 ' N ' HG23 ' A' ' 145' ' ' ILE . 79.7 mtp85 -65.77 -38.77 89.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.586 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.464 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 14.9 m-20 -62.44 -40.06 95.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.403 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.8 t -79.91 -42.64 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -77.99 56.77 1.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.728 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 39.1 mt -88.62 12.15 15.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.438 HD21 ' NH2' ' A' ' 163' ' ' ARG . 7.5 m120 -102.16 -15.03 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.634 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.1 -8.08 58.5 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.7 p-10 -69.04 -26.25 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.552 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 88.17 1.63 81.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.529 ' NH1' ' OG ' ' A' ' 120' ' ' SER . 96.1 mtt-85 -143.74 169.97 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.651 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.25 122.46 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.548 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.42 ' OD1' ' CB ' ' A' ' 160' ' ' GLU . 49.6 p-10 -98.0 -160.43 0.8 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.546 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -74.1 -44.54 53.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 159' ' ' GLU . 58.9 mp0 -67.6 -45.53 75.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.42 ' CB ' ' OD1' ' A' ' 157' ' ' ASP . 78.1 tt0 -61.99 -35.02 77.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.466 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 161' ' ' PHE . 33.8 t80 -59.21 -45.53 90.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.15 -45.99 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.722 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . 0.438 ' NH2' HD21 ' A' ' 151' ' ' ASN . 89.1 mtm180 -59.76 -38.05 80.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 14.8 tpt -60.63 -42.53 97.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.412 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 165' ' ' MET . 14.0 tmm? . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.417 179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.703 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 102' ' ' LYS . 31.2 m -64.4 -42.4 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.736 0.303 . . . . 0.0 110.507 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.465 ' N ' HG23 ' A' ' 101' ' ' VAL . 69.5 mmtt -47.73 -60.2 2.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.395 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.501 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 81.4 tt0 -52.66 -16.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 110.412 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.594 ' O ' HD13 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -93.75 -43.74 8.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -68.96 -17.39 63.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.566 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 41.5 p-10 -60.9 -43.53 98.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.708 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . 0.566 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -65.71 -36.76 84.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.97 0.414 . . . . 0.0 110.434 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.486 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 65.1 t80 -60.69 -43.46 97.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -62.16 -42.92 99.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.635 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -49.1 -55.31 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -61.14 -44.97 96.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.486 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.486 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 43.1 m-20 -75.19 65.67 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.665 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.9 m -62.58 -41.68 99.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.354 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -56.38 -40.27 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.121 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 97.52 7.12 57.11 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 47.5 p-10 -63.53 -28.2 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.948 0.404 . . . . 0.0 110.405 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 116' ' ' ASP . . . 97.05 2.89 59.18 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.451 ' OE1' ' NH2' ' A' ' 155' ' ' ARG . 98.2 mt-10 -142.85 157.6 44.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.491 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.52 116.0 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p -87.88 -172.69 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 121' ' ' THR . 1.3 p -73.03 -37.9 66.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.516 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.6 m -80.05 -20.53 45.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -76.14 -19.18 58.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.676 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.0 mt -76.27 -23.42 54.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -58.53 -43.99 89.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.247 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.511 ' OE2' ' NH2' ' A' ' 129' ' ' ARG . 69.8 mm-40 -64.04 -42.8 96.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.323 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.43 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.471 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.5 ttm -54.96 -49.0 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.528 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . 0.511 ' NH2' ' OE2' ' A' ' 126' ' ' GLU . 86.1 mtm180 -64.25 -42.02 96.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.912 0.387 . . . . 0.0 111.007 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -64.1 -41.99 97.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.737 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.544 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 64.9 mt . . . . . 0 CA--C 1.522 -0.132 0 CA-C-O 120.945 0.403 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.557 ' N ' ' OE1' ' A' ' 142' ' ' GLU . 56.8 mp0 -91.69 -10.18 41.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.565 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -92.93 -33.17 14.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.766 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 145' ' ' ILE . 21.3 tt -68.17 -40.4 82.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.802 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.494 ' N ' HG23 ' A' ' 144' ' ' ILE . 14.0 tt -57.52 -33.12 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.646 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -64.21 -40.45 96.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 99.1 m-20 -62.85 -42.37 99.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.971 0.415 . . . . 0.0 110.49 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.8 t -78.76 -43.3 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.507 ' OD1' ' ND2' ' A' ' 151' ' ' ASN . 51.7 t0 -75.85 57.57 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.883 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 46.3 mt -92.81 30.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.385 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.806 ' H ' HD22 ' A' ' 151' ' ' ASN . 0.0 OUTLIER -124.7 -17.42 5.93 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.76 -179.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 82.94 78.67 1.05 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.3 p-10 -157.43 -33.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.578 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 88.54 13.18 63.61 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.451 ' NH2' ' OE1' ' A' ' 118' ' ' GLU . 6.0 ptm180 -152.15 168.9 23.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.412 . . . . 0.0 110.365 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 45.3 t -126.56 113.15 32.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.44 -171.81 3.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.634 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -67.2 -40.91 86.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.766 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -66.87 -45.73 77.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.709 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.49 -38.24 89.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.305 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.58 -47.08 87.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.58 -47.42 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.656 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -54.92 -43.25 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.295 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.5 tpt -60.46 -46.33 90.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . 0.42 ' SD ' HD21 ' A' ' 104' ' ' LEU . 43.5 ttm . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.495 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.641 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.0 -41.14 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.768 0.318 . . . . 0.0 110.42 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -51.7 -49.36 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -55.77 -19.75 12.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.373 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 mt -94.66 -51.17 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.709 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.55 -41.78 95.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.257 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -64.0 -41.26 97.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.452 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.86 88.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.385 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -61.95 -44.73 96.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -53.25 -42.56 66.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.328 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -44.61 -61.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.523 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -61.81 -45.83 92.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 114' ' ' ASN . 54.9 t0 -82.33 62.17 5.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.528 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.8 m -61.87 -44.78 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.507 ' ND2' ' OE2' ' A' ' 123' ' ' GLU . 10.1 p-10 -60.43 -25.27 65.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.528 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 80.3 22.52 62.65 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 118' ' ' GLU . 44.8 p30 -66.74 -12.51 58.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.547 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.31 1.49 90.36 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 17.2 pt-20 -145.71 158.41 43.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.373 . . . . 0.0 110.546 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.29 115.89 50.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.414 ' H ' ' CG ' ' A' ' 123' ' ' GLU . 5.0 p -98.28 -170.88 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.5 p -69.84 -37.62 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.9 p -78.32 -16.39 57.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.425 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.507 ' OE2' ' ND2' ' A' ' 114' ' ' ASN . 76.7 mm-40 -76.29 -11.62 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.54 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 89.0 mt -93.22 -13.76 27.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.416 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.94 -39.82 90.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.433 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -68.35 -43.51 77.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.29 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.561 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 128' ' ' MET . 0.9 OUTLIER -64.93 -39.07 92.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.467 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -61.68 -41.91 98.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.4 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -79.29 -23.43 43.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.449 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.4 tp . . . . . 0 C--N 1.327 -0.4 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.437 -179.789 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 80.9 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.882 0.373 . . . . 0.0 110.601 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.429 ' O ' HG22 ' A' ' 145' ' ' ILE . 22.3 pt-20 -93.51 -12.31 29.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.647 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -95.33 -25.11 16.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.664 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 19.7 tt -64.93 -28.18 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 142' ' ' GLU . 20.2 tt -63.38 -31.24 52.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.631 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -60.77 -42.87 98.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.7 -50.23 73.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.594 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.7 t -73.39 -43.96 55.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.735 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 155' ' ' ARG . 46.0 t0 -88.78 65.91 7.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.816 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 16.4 mt -81.05 22.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.403 ' OD1' ' OE2' ' A' ' 160' ' ' GLU . 10.1 t-20 -93.21 -28.2 16.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.727 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 89.45 7.77 68.99 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.421 ' OD1' ' OD1' ' A' ' 149' ' ' ASP . 39.1 p-10 -89.91 -24.58 21.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 110.684 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.434 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 94.37 3.64 63.01 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.521 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 87.6 mtm-85 -141.61 170.21 16.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 110.64 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.97 113.61 27.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -94.16 -167.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.441 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -67.76 -32.41 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -75.37 -53.63 8.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.771 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.403 ' OE2' ' OD1' ' A' ' 151' ' ' ASN . 93.3 mt-10 -60.14 -31.65 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.79 -46.27 82.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.797 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.0 -39.8 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.736 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.37 -35.66 74.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.745 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 164' ' ' MET . 0.7 OUTLIER -56.92 -47.31 80.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.531 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 60.9 mtt . . . . . 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.532 179.4 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.57 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 101' ' ' VAL . 28.2 t -41.71 -29.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -68.87 -69.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.747 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -54.29 -20.37 6.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.447 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.3 mp -87.06 -52.33 5.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -61.43 -39.33 90.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.177 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -62.0 -41.92 98.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.47 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.8 95.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.431 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.93 -43.39 98.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -55.68 -43.37 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.56 -54.74 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.628 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' A' ' 117' ' ' GLY . 34.5 t70 -85.97 58.62 5.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.4 m -61.22 -42.64 98.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.557 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.702 HD22 ' N ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -60.21 -21.3 61.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.528 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.679 ' H ' HD22 ' A' ' 114' ' ' ASN . . . 79.64 20.98 67.43 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.83 -20.27 65.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.459 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.499 ' H ' ' CG ' ' A' ' 112' ' ' ASP . . . 89.97 -7.27 81.99 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.444 ' O ' ' OE1' ' A' ' 123' ' ' GLU . 95.3 mt-10 -139.8 156.76 46.58 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 120.709 0.29 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.3 mt -109.28 120.15 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.289 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.443 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 5.6 t -97.46 -162.15 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.441 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 p -83.56 -30.78 26.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.3 m -86.84 -19.41 29.01 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.373 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 118' ' ' GLU . 46.7 mt-10 -69.94 -19.07 63.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.734 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.42 -18.32 58.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.585 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.01 -44.89 95.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 126' ' ' GLU . 56.8 mp0 -66.92 -40.54 87.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.461 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.26 95.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.276 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.8 tpp -45.43 -44.33 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.274 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.92 -43.9 97.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -64.84 -43.14 94.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.684 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.3 tp . . . . . 0 C--N 1.324 -0.529 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.306 -179.232 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 141' ' ' ILE . 73.1 mt . . . . . 0 CA--C 1.528 0.114 0 CA-C-O 120.809 0.338 . . . . 0.0 110.623 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -76.0 -12.26 60.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.622 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -91.66 -33.42 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.82 -43.71 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.537 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 12.5 tt -54.7 -35.59 33.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.538 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -60.98 -42.55 98.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.588 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -65.91 -49.92 66.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.062 0.458 . . . . 0.0 110.668 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 83.5 t -68.87 -44.52 81.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.485 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 155' ' ' ARG . 52.0 t0 -89.66 58.51 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.86 5.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.459 ' H ' ' C ' ' A' ' 149' ' ' ASP . 20.2 t-20 -66.92 -41.51 86.92 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.453 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 92.0 30.35 10.4 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -129.58 -11.98 4.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.616 0.246 . . . . 0.0 110.652 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.452 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 86.49 11.07 72.37 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.463 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 41.9 ttm180 -135.17 151.28 50.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.764 0.316 . . . . 0.0 110.569 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 3.3 t -133.03 102.55 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 21.6 t0 -86.21 -153.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.469 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.512 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 92.1 t80 -77.95 -36.18 49.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -75.24 -49.74 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 155' ' ' ARG . 90.3 mt-10 -61.89 -27.39 68.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.455 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.27 -46.85 84.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.97 -32.8 59.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -53.66 -33.15 54.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.421 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.19 -43.09 87.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.476 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 36.2 tpp . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.363 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.58 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 102' ' ' LYS . 28.7 m -64.03 -38.38 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.695 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 104' ' ' LEU . 88.6 tttt -58.32 -65.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -44.26 -20.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.543 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' LYS . 91.5 mt -95.19 -42.39 8.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -61.24 -35.38 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.564 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -61.98 -43.12 99.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.32 86.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -61.11 -41.2 96.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -62.34 -38.06 88.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.427 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -54.97 -50.94 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -61.88 -43.11 99.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.555 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.556 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 29.4 t0 -77.34 68.7 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.567 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 65.0 m -64.01 -42.3 97.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.493 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.584 HD21 ' CD ' ' A' ' 123' ' ' GLU . 0.9 OUTLIER -61.89 -39.72 92.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.599 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.488 ' N ' ' OD1' ' A' ' 112' ' ' ASP . . . 95.91 12.66 52.25 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 50.6 p-10 -63.37 -20.71 65.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.555 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 94.85 -0.16 64.52 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -144.34 157.39 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.528 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.2 mm -104.93 116.37 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.562 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.2 p -93.3 -164.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.538 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 31.9 p -85.19 -25.44 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.1 m -88.25 -19.56 26.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.584 ' CD ' HD21 ' A' ' 114' ' ' ASN . 50.3 mt-10 -70.53 -20.87 62.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.57 -35.02 76.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -48.98 -41.8 35.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.98 -39.07 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 130' ' ' LYS . . . -68.38 -41.82 80.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 85.4 mmm -46.83 -39.85 12.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.397 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.9 mtt85 -62.71 -27.0 68.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.433 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' ALA . 65.6 tttm -81.03 -33.5 33.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.402 HD12 ' N ' ' A' ' 131' ' ' LEU . 10.9 mp . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.413 -179.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' A' ' 143' ' ' GLU . 67.6 mt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.798 0.332 . . . . 0.0 110.648 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -53.76 -9.89 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.567 ' N ' ' OE1' ' A' ' 143' ' ' GLU . 52.2 mp0 -90.78 -36.27 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.45 -42.04 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.488 HG23 ' N ' ' A' ' 146' ' ' ARG . 4.3 tp -61.8 -40.92 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.488 ' N ' HG23 ' A' ' 145' ' ' ILE . 79.1 mtp85 -60.37 -45.93 91.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.548 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.21 -49.1 71.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.4 t -68.53 -44.99 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 151' ' ' ASN . 46.2 t0 -85.54 46.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.01 13.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.533 ' H ' ' C ' ' A' ' 149' ' ' ASP . 26.4 t-20 -79.38 -34.63 41.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.47 37.83 6.07 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 52.1 p-10 -124.82 -20.96 4.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 110.668 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.442 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 93.92 -0.8 67.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.462 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 89.9 mtm-85 -142.26 167.47 22.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 110.61 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.62 108.84 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -91.33 -164.6 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.77 -43.67 92.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -68.7 -53.53 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.592 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 155' ' ' ARG . 93.3 mt-10 -58.3 -32.3 68.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' A' ' 164' ' ' MET . 84.0 t80 -60.57 -47.65 85.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.635 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.49 -41.93 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.67 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -48.85 -23.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.488 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.513 ' C ' ' SD ' ' A' ' 164' ' ' MET . 3.2 ppp? -59.43 -36.26 75.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . 0.412 ' N ' ' CG ' ' A' ' 164' ' ' MET . 3.8 mmt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 102' ' ' LYS . . . . . . . . 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.0 t -43.86 -20.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.642 0.258 . . . . 0.0 110.529 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 100' ' ' GLY . 63.9 tttp -66.04 -71.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -52.16 -27.71 15.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.447 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 104' ' ' LEU . 10.9 mp -78.44 -47.38 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.29 -37.7 87.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.175 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.71 -47.0 88.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.28 98.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.32 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -61.87 -48.07 82.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.51 -38.58 91.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.334 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -51.58 -50.43 60.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.771 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -60.9 -45.95 92.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.763 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -51.44 96.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.506 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.5 m -87.88 -27.4 22.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.469 HD21 ' CG ' ' A' ' 116' ' ' ASP . 49.3 p30 -96.49 -19.43 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.677 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.469 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 77.0 25.65 63.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.469 ' CG ' HD21 ' A' ' 114' ' ' ASN . 36.5 p-10 -77.27 -3.48 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 110.463 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.6 87.85 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -147.87 160.15 43.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.566 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.92 124.42 70.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.262 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 p -117.66 -164.96 1.04 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.621 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 74.6 p -69.4 -43.77 72.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.5 t -66.33 -16.1 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.317 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 116' ' ' ASP . 50.0 mt-10 -94.7 -53.45 3.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.44 -39.29 83.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.413 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.421 ' HE ' HG13 ' A' ' 141' ' ' ILE . 43.3 ttm180 -55.75 -43.52 76.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.466 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.18 -19.99 66.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.38 -39.53 17.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 110.533 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 49.9 ttp -47.1 -24.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.405 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.65 -46.83 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.015 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 131' ' ' LEU . 17.0 ptmt -84.91 -40.64 16.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.478 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.474 ' N ' ' CG ' ' A' ' 130' ' ' LYS . 40.1 tp . . . . . 0 C--O 1.232 0.169 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.223 -179.69 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.421 HG13 ' HE ' ' A' ' 125' ' ' ARG . 15.2 mm . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.814 0.34 . . . . 0.0 110.511 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.63 -19.24 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.562 ' N ' ' OE1' ' A' ' 143' ' ' GLU . 57.2 mp0 -86.4 -41.21 14.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.494 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.9 mt -66.08 -43.54 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.702 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 145' ' ' ILE . 10.7 tp -62.99 -28.12 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.569 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -60.72 -42.35 97.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.504 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.66 -49.45 76.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.369 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 7.4 t -72.09 -42.83 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 110.639 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 151' ' ' ASN . 33.8 t70 -87.14 59.37 5.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.27 21.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.474 ' H ' ' C ' ' A' ' 149' ' ' ASP . 11.3 m120 -103.17 -16.13 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 74.19 6.82 75.81 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' A' ' 149' ' ' ASP . 44.2 p-10 -93.45 -21.09 19.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.876 0.37 . . . . 0.0 110.68 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 149' ' ' ASP . . . 83.88 12.68 76.68 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -134.39 146.26 49.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.499 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 53.6 t -119.97 134.19 64.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.358 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -116.6 -169.15 1.57 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -67.17 -44.98 78.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.005 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 160' ' ' GLU . 15.8 pt-20 -65.28 -43.06 92.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.619 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.442 ' N ' ' CG ' ' A' ' 159' ' ' GLU . 83.3 mt-10 -65.92 -32.21 73.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.41 -47.3 86.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.64 -43.25 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -56.19 -42.81 77.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 164' ' ' MET . 0.6 OUTLIER -59.84 -41.11 90.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 179.793 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.9 m -63.12 -36.01 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.608 0.242 . . . . 0.0 110.528 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -61.8 -58.77 6.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.425 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -56.94 -20.02 21.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.952 0.406 . . . . 0.0 110.808 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.1 mt -88.91 -44.59 10.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.418 ' NE ' ' CZ ' ' A' ' 158' ' ' PHE . 29.0 mmt180 -61.04 -36.26 79.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.449 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.75 -45.23 90.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.32 95.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.351 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -62.35 -46.29 89.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.63 -36.86 85.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.03 -47.27 71.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -66.06 -41.07 91.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.507 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.88 72.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.494 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.9 m -62.33 -42.34 99.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.57 -41.48 98.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.245 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.67 8.88 58.02 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.07 -18.83 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.459 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.46 -0.63 58.37 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.534 ' OE1' ' N ' ' A' ' 118' ' ' GLU . 56.2 mp0 -143.35 158.55 43.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.93 0.395 . . . . 0.0 110.485 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.4 mm -102.81 121.71 54.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.045 0.45 . . . . 0.0 110.496 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.455 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 2.7 m -84.99 -161.15 0.55 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.483 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -89.08 -26.94 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.441 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.3 p -88.64 -20.4 24.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 120' ' ' SER . 46.1 mt-10 -64.76 -22.31 66.96 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.731 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 124' ' ' LEU . 3.9 mm? -69.46 -33.26 72.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 58.4 ttm-85 -55.48 -44.41 76.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.16 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.99 -41.41 97.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.588 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 130' ' ' LYS . . . -66.1 -41.32 90.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.423 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.5 tpp -43.84 -43.06 6.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.444 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 74.4 ttp85 -64.69 -39.27 93.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.421 179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 127' ' ' ALA . 30.3 mmtp -63.62 -43.5 96.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.431 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 131' ' ' LEU . 11.1 mp . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.74 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.007 0.432 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.501 ' OE1' ' N ' ' A' ' 142' ' ' GLU . 49.9 mp0 -92.59 -9.43 41.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.379 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -94.0 -33.55 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.617 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 145' ' ' ILE . 21.0 tt -67.36 -40.4 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 149' ' ' ASP . 10.2 tp -56.91 -39.32 64.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.773 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.476 ' N ' HG23 ' A' ' 145' ' ' ILE . 62.2 ttp180 -63.77 -41.32 97.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.28 -38.08 87.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.576 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.3 t -88.91 -27.6 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.645 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 145' ' ' ILE . 36.4 t70 -90.73 44.15 1.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 58.6 mt -75.17 21.78 0.12 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.589 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.828 HD22 ' H ' ' A' ' 153' ' ' ASP . 0.8 OUTLIER -97.53 -28.54 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.543 -179.66 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 90.37 10.53 63.74 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.828 ' H ' HD22 ' A' ' 151' ' ' ASN . 11.7 m-20 -92.41 -25.43 18.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.456 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 97.34 1.25 59.32 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.428 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 0.0 OUTLIER -147.01 173.24 12.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.336 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.24 112.59 36.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.986 0.422 . . . . 0.0 110.465 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -91.7 -176.68 4.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.418 ' CZ ' ' NE ' ' A' ' 105' ' ' ARG . 69.0 t80 -63.22 -43.73 97.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.565 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.05 -47.73 81.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 151' ' ' ASN . 93.3 mt-10 -64.67 -37.81 88.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.309 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -60.56 -45.56 93.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.74 -48.25 87.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.551 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -54.81 -44.38 73.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.7 tpt -61.09 -45.87 92.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.427 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 59.0 tpp . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.43 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.635 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.16 -44.75 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 110.54 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -60.35 -59.28 5.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.652 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -51.88 -17.64 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.722 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.464 HD21 ' SD ' ' A' ' 165' ' ' MET . 58.4 mt -94.18 -48.85 6.01 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.657 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.481 HH12 ' NH1' ' A' ' 109' ' ' ARG . 73.1 ttp85 -63.22 -41.59 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.274 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -64.91 -42.36 94.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.546 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.0 92.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.414 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -63.36 -47.11 83.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.53 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.481 ' NH1' HH12 ' A' ' 105' ' ' ARG . 87.1 mtm180 -59.6 -33.28 71.28 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.402 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -54.5 -55.53 28.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 113' ' ' THR . 92.2 m-85 -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.515 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -60.53 75.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 111' ' ' PHE . 75.6 m -63.41 -43.52 97.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.442 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 24.5 m120 -64.25 -42.85 96.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.052 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.14 11.41 58.67 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 29.3 p-10 -71.72 -6.35 40.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.963 0.411 . . . . 0.0 110.642 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.27 -0.93 72.43 Favored Glycine 0 N--CA 1.461 0.346 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -138.74 156.81 47.06 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.039 0.447 . . . . 0.0 110.47 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.8 mm -104.99 115.94 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.091 0.472 . . . . 0.0 110.483 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.539 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 15.3 m -90.72 -175.42 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.44 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 56.9 p -71.65 -36.45 70.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.252 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.0 t -76.14 -22.68 55.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.238 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 120' ' ' SER . 44.5 mt-10 -71.56 -21.19 61.92 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.61 -18.45 44.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.625 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.52 -43.9 97.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -66.64 -40.38 88.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.69 -35.75 81.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.343 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -37.82 64.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.2 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -59.53 -46.49 88.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.52 -38.07 68.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.6 tp . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.437 -178.453 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 64.6 mt . . . . . 0 N--CA 1.457 -0.075 0 CA-C-O 120.888 0.375 . . . . 0.0 110.651 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.5 -13.32 39.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.61 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -93.41 -30.27 15.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.72 -42.88 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.654 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 146' ' ' ARG . 8.9 tp -48.88 -36.71 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.424 ' N ' HG23 ' A' ' 145' ' ' ILE . 87.5 mtm180 -65.51 -38.17 88.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.607 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 64.9 t0 -59.96 -43.81 94.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.609 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 5.5 t -83.09 -43.27 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.625 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.407 ' OD1' ' OD1' ' A' ' 153' ' ' ASP . 54.2 t0 -72.92 56.3 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.913 -179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 62.2 mt -92.99 19.44 7.79 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.586 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.513 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 51.9 p-10 -113.21 -27.03 8.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 151' ' ' ASN . . . 94.28 80.1 1.47 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 41.9 p-10 -159.3 -34.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 96.4 -0.54 61.72 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.447 ' O ' ' OD2' ' A' ' 153' ' ' ASP . 99.6 mtt180 -145.38 173.25 12.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.608 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 11.4 t -119.51 114.55 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 121.081 0.467 . . . . 0.0 110.103 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 28.7 t70 -92.93 -175.41 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.504 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 76.3 t80 -63.98 -43.06 96.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.454 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.72 -44.38 77.75 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.513 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 80.0 tt0 -64.69 -35.63 81.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.351 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.86 -46.17 91.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 78.7 t -63.07 -45.89 97.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.457 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -57.62 -36.09 71.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.475 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 164' ' ' MET . 13.4 tmm? -60.88 -44.56 96.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . 0.464 ' SD ' HD21 ' A' ' 104' ' ' LEU . 32.0 ttm . . . . . 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.557 179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.524 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.21 -43.92 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.501 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -61.19 -47.81 84.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.705 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.53 -17.66 34.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.206 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.3 mt -93.87 -49.91 5.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.499 ' NH1' ' NH2' ' A' ' 109' ' ' ARG . 74.3 ttp85 -61.07 -40.88 95.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.3 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -63.25 -41.93 99.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.26 98.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -62.19 -47.01 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.544 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.499 ' NH2' ' NH1' ' A' ' 105' ' ' ARG . 44.9 ttm180 -61.9 -42.31 98.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.446 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -48.23 -64.28 0.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.757 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.577 ' O ' ' N ' ' A' ' 113' ' ' THR . 66.1 m-85 -57.3 -37.99 73.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.24 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -57.02 75.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 110.67 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.577 ' N ' ' O ' ' A' ' 111' ' ' PHE . 16.6 m -68.85 -33.9 74.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.684 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -69.16 -39.79 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.28 11.81 77.43 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -83.05 -3.23 57.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.622 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.7 14.78 74.89 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.411 ' O ' ' OE1' ' A' ' 123' ' ' GLU . 17.5 pt-20 -150.16 160.22 43.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.609 0.242 . . . . 0.0 110.451 179.823 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.7 mt -120.16 117.37 53.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.567 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.5 t -107.19 -168.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.487 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.5 p -66.9 -48.28 69.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.497 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 90.2 p -69.02 -13.08 62.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.214 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.411 ' OE1' ' O ' ' A' ' 118' ' ' GLU . 57.5 tt0 -95.81 -58.6 2.06 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.295 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . 0.68 ' O ' HD23 ' A' ' 124' ' ' LEU . 1.4 tt -49.4 -33.68 14.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.6 ttt-85 -58.57 -44.06 89.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.352 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.49 -32.81 73.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.439 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.12 82.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.466 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . 0.502 ' SD ' HG23 ' A' ' 141' ' ' ILE . 91.8 mtp -63.53 -40.4 96.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.347 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -60.47 -46.27 90.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.128 0.489 . . . . 0.0 110.188 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -66.03 -33.16 75.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.358 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.564 -178.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 141' ' ' ILE . 95.9 mt . . . . . 0 C--O 1.226 -0.14 0 CA-C-O 120.754 0.311 . . . . 0.0 110.507 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 145' ' ' ILE . 15.7 pt-20 -91.19 -9.56 44.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.495 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -93.45 -20.69 20.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.477 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 141' ' ' ILE . 19.0 tt -66.98 -33.04 60.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.565 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 142' ' ' GLU . 19.2 tt -62.02 -26.32 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.225 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.03 -43.76 98.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.496 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.17 -49.06 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.582 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.462 HG12 HG21 ' A' ' 156' ' ' VAL . 7.5 t -71.43 -44.92 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.666 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 151' ' ' ASN . 33.5 t70 -90.19 71.12 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.699 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 11.9 mt -84.35 22.7 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.544 HD22 ' CD ' ' A' ' 160' ' ' GLU . 11.4 p30 -108.36 -17.15 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.62 -2.51 78.41 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -73.5 -24.74 60.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.762 0.315 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 85.39 13.09 71.53 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.511 ' NH1' ' OD1' ' A' ' 157' ' ' ASP . 39.2 ptt85 -145.34 160.96 40.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.711 0.291 . . . . 0.0 110.267 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . 0.462 HG21 HG12 ' A' ' 148' ' ' VAL . 85.4 t -124.55 129.2 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.386 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.511 ' OD1' ' NH1' ' A' ' 155' ' ' ARG . 89.1 m-20 -105.68 -169.36 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -67.39 -44.62 78.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.784 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 160' ' ' GLU . 14.5 pt-20 -67.04 -43.71 82.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.835 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.544 ' CD ' HD22 ' A' ' 151' ' ' ASN . 94.8 mt-10 -66.71 -30.58 70.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.414 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.16 -45.18 95.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.544 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.64 -43.0 96.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -38.04 48.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.538 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.1 -44.13 82.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' A' ' 165' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.298 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 90.2 t -46.63 -40.0 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.544 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -58.36 -50.65 72.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.605 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.98 -20.11 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 0.0 110.345 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.06 -42.26 11.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -68.46 -23.68 64.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.291 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -71.75 -44.34 64.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.85 97.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.263 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.97 -47.58 85.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.473 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -60.5 -42.97 97.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -61.31 -19.47 61.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.514 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -93.08 -30.98 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.658 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 44.4 t0 -81.87 86.69 6.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.487 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.5 m -63.55 -41.6 98.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.446 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.06 -40.47 96.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.786 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.5 11.79 68.22 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 32.1 p-10 -79.7 -1.99 40.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.797 0.332 . . . . 0.0 110.513 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.53 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 86.18 10.54 74.46 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -141.32 155.69 45.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.737 0.303 . . . . 0.0 110.335 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.8 mm -108.68 120.04 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.964 0.411 . . . . 0.0 110.395 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.535 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 13.5 m -86.1 -171.34 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.325 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 p -75.5 -34.58 60.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.285 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 t -79.93 -25.23 40.57 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 120' ' ' SER . 47.3 mt-10 -68.46 -27.17 65.93 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.777 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 66.2 mt -67.98 -38.89 83.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.858 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 79.1 ttt-85 -58.31 -43.47 88.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.448 -179.377 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.29 -39.91 94.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.911 0.386 . . . . 0.0 110.427 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.4 70.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.4 tpt -65.1 -40.57 94.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.389 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.6 ttp180 -62.86 -44.23 96.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.397 -179.471 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -71.27 -36.28 71.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.013 0.435 . . . . 0.0 110.614 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 57.3 tp . . . . . 0 N--CA 1.451 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.655 -179.094 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.402 ' C ' ' N ' ' A' ' 143' ' ' GLU . 59.5 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.692 0.282 . . . . 0.0 110.4 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -53.92 -12.16 0.53 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 141' ' ' ILE . 83.6 tt0 -94.03 -29.31 15.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.3 -42.85 88.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 13.4 tt -52.47 -34.95 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.573 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -62.57 -42.4 99.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.763 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 64.2 t0 -64.54 -47.13 79.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.606 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.0 t -71.44 -44.9 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.746 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -80.08 72.31 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.668 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 37.6 mt -106.32 22.37 15.86 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 50.5 p30 -119.71 -5.58 10.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.712 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 69.34 69.18 1.44 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.7 p-10 -140.64 -29.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.672 0.273 . . . . 0.0 110.705 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 94.15 -7.4 72.69 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.431 ' O ' ' OD2' ' A' ' 153' ' ' ASP . 84.6 mtt85 -141.55 -173.67 3.83 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.634 0.254 . . . . 0.0 110.475 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.9 t -126.54 114.97 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.357 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -86.79 179.03 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.302 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -64.56 -44.34 91.06 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.604 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -66.48 -44.14 83.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.903 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.531 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 81.6 tt0 -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.93 -46.62 84.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.14 -47.84 91.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.88 0.372 . . . . 0.0 110.652 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -56.21 -42.23 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.007 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 18.1 tpt -63.37 -37.82 88.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.407 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 36.1 ttm . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.339 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.64 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.4 -22.55 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.766 0.317 . . . . 0.0 110.46 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.81 -56.77 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -55.2 -15.11 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.508 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.2 mp -94.06 -51.08 5.01 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.31 -42.34 98.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.325 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.88 -40.83 95.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.635 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.53 96.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -54.3 -45.67 72.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -59.32 -40.85 87.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.374 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.89 -22.41 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -90.45 -39.31 12.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.54 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -77.59 84.13 3.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.928 0.394 . . . . 0.0 110.308 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.9 m -65.08 -38.72 91.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.654 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -67.99 -41.11 82.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.92 3.84 73.04 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -63.81 -42.13 97.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 129.96 7.91 3.56 Favored Glycine 0 N--CA 1.465 0.585 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -149.97 159.61 44.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.852 0.358 . . . . 0.0 110.369 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.4 mm -110.65 115.32 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.498 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.7 p -85.53 176.8 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.594 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.44 HG22 HD13 ' A' ' 145' ' ' ILE . 20.8 p -63.37 -44.4 94.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.389 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 81.9 p -78.39 -18.6 54.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.334 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -73.86 -15.64 61.15 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.352 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.1 mt -75.83 -25.66 56.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -58.56 -42.53 88.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.77 -41.71 95.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.392 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.39 70.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.48 -39.79 95.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 44.0 ttm180 -61.45 -44.79 96.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.474 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.57 -34.79 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 59.9 tp . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.643 -179.198 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 141' ' ' ILE . 76.7 mt . . . . . 0 N--CA 1.46 0.066 0 CA-C-O 120.931 0.396 . . . . 0.0 110.497 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -90.05 -11.25 42.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.418 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.81 -33.1 12.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.702 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 145' ' ' ILE . 20.0 tt -66.04 -37.79 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.655 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 121' ' ' THR . 14.6 tt -55.9 -28.46 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.409 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -59.13 -44.98 92.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.437 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -68.36 -42.6 78.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.438 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.488 HG22 ' SD ' ' A' ' 164' ' ' MET . 89.1 t -67.99 -45.87 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.516 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 154' ' ' GLY . 40.3 t0 -91.13 82.16 5.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.538 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.5 mt -102.78 24.13 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.745 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.475 ' ND2' ' CD ' ' A' ' 160' ' ' GLU . 4.4 p30 -114.12 -8.15 13.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . 0.437 ' O ' ' OD1' ' A' ' 153' ' ' ASP . . . 68.21 63.57 3.54 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 152' ' ' GLY . 78.9 m-20 -136.36 -21.62 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.314 . . . . 0.0 110.601 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 149' ' ' ASP . . . 84.65 11.85 76.4 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -151.33 -178.27 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.396 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.18 107.17 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -90.49 -171.39 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.39 -46.09 88.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.696 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -69.38 -42.75 74.75 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.475 ' CD ' ' ND2' ' A' ' 151' ' ' ASN . 93.4 mt-10 -65.0 -32.54 74.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.493 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.23 -42.12 98.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.523 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.24 -45.2 93.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.561 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -53.11 -38.52 62.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.251 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.488 ' SD ' HG22 ' A' ' 148' ' ' VAL . 52.7 ttp -62.36 -40.18 95.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 165' ' ' MET . 1.2 tmt? . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.486 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.617 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 15.5 m -60.31 -40.24 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.593 0.235 . . . . 0.0 110.494 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -62.46 -52.88 61.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.538 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -61.97 -15.19 41.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.059 0.457 . . . . 0.0 110.524 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.4 mt -93.4 -43.97 8.5 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.663 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -63.02 -38.99 93.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.386 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.21 -43.27 99.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.31 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.23 86.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.524 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 69.6 t80 -60.19 -45.14 94.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -59.63 -32.1 70.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.697 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -56.89 -52.7 64.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' THR . 84.4 m-85 -61.96 -44.68 96.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.524 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 13.0 m-20 -63.28 72.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.752 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 111' ' ' PHE . 13.2 m -65.22 -37.12 86.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.529 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 37.4 p30 -80.33 -30.64 38.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.693 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 85.93 21.7 51.96 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.467 ' CG ' HD21 ' A' ' 114' ' ' ASN . 37.3 p-10 -72.03 -6.74 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.528 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.55 4.47 89.15 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 13.5 pt-20 -150.62 160.73 43.61 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.081 0.467 . . . . 0.0 110.523 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.9 mm -104.42 115.52 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 121.296 0.569 . . . . 0.0 110.377 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.8 p -93.98 -175.88 3.84 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.1 p -68.76 -37.81 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.437 ' O ' ' OE1' ' A' ' 126' ' ' GLU . 32.1 t -78.92 -20.6 48.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.455 ' OE2' ' N ' ' A' ' 113' ' ' THR . 37.5 tp10 -69.7 -25.34 63.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.355 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.1 mt -74.85 -25.42 58.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -60.43 -43.78 96.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.562 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 122' ' ' SER . 57.4 mp0 -66.47 -37.32 84.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.65 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.65 78.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -36.04 6.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 96.1 mtt-85 -63.23 -37.44 87.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -83.79 -39.48 19.95 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 47.2 tp . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.519 -179.731 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 141' ' ' ILE . 89.1 mt . . . . . 0 N--CA 1.454 -0.261 0 CA-C-O 121.277 0.561 . . . . 0.0 110.721 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 73.8 tt0 -82.39 -11.87 58.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.511 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -90.41 -32.11 16.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.616 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.27 -43.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.621 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 146' ' ' ARG . 20.4 tt -61.08 -37.69 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.411 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 149' ' ' ASP . 44.9 ttm180 -60.21 -30.54 69.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.224 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -72.31 -62.84 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.428 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.12 -47.73 91.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.353 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 146' ' ' ARG . 46.6 t0 -95.7 166.91 11.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.083 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mt 166.63 30.52 0.0 OUTLIER 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.676 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -95.69 -2.53 47.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.832 0.349 . . . . 0.0 110.712 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 69.88 63.77 3.19 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 50.0 p-10 -163.54 -28.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.965 0.412 . . . . 0.0 110.694 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.53 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 83.4 15.64 70.93 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -123.67 137.64 54.68 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.897 0.38 . . . . 0.0 110.569 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 71.5 t -123.5 103.97 13.62 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.475 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 24.3 t0 -88.63 -157.13 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.548 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 67.6 t80 -76.09 -31.12 58.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.698 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.68 -56.96 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.661 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -60.32 -31.8 70.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.515 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.93 -46.53 84.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.75 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 158' ' ' PHE . 74.1 t -65.63 -41.27 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.582 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -49.07 -27.43 3.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.63 -44.49 96.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.495 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.176 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 63.6 t -53.32 -19.36 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.674 0.273 . . . . 0.0 110.434 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.73 -71.24 0.15 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.996 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -49.95 -28.64 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.375 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.0 mt -79.69 -44.38 20.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.76 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -63.99 -36.57 84.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.88 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.4 -43.69 85.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.008 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.77 88.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.559 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -60.29 -44.48 95.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.32 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -58.17 -42.12 85.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.414 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -44.79 -61.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.577 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.73 -46.7 88.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.2 60.27 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.455 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.0 m -61.39 -43.56 98.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 32.9 p30 -59.77 -30.29 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 88.12 21.97 43.53 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.517 ' OD2' ' ND2' ' A' ' 114' ' ' ASN . 98.9 m-20 -67.48 -15.81 63.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.538 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 86.36 -3.02 87.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -148.88 159.08 44.51 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 54.8 mt -108.81 121.83 62.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 110.041 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.532 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 4.9 t -96.67 -170.45 2.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.426 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.9 p -70.61 -41.69 71.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.361 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -74.98 -23.4 58.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 120' ' ' SER . 49.8 mt-10 -70.48 -26.69 63.73 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.999 0.428 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.26 -34.65 73.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.872 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.57 -42.35 96.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.627 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -60.84 -43.44 98.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.38 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.1 67.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.766 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.9 ttt -53.05 -43.08 66.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.323 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.39 -48.5 81.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -65.37 -42.34 92.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.565 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 59.7 tp . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.09 -179.583 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 141' ' ' ILE . 77.0 mt . . . . . 0 N--CA 1.463 0.217 0 CA-C-O 120.743 0.306 . . . . 0.0 110.859 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -73.65 -9.7 58.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.603 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.72 -33.2 15.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.573 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.92 -43.41 97.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 146' ' ' ARG . 20.7 tt -61.83 -36.73 75.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.45 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.411 ' N ' HG23 ' A' ' 145' ' ' ILE . 77.4 ttt180 -60.41 -42.4 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.55 -24.58 66.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.428 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 87.3 t -91.6 -48.24 13.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 151' ' ' ASN . 98.1 m-20 -76.94 49.52 0.66 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.75 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.04 23.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.649 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.568 HD21 ' CD ' ' A' ' 160' ' ' GLU . 18.0 p30 -129.29 0.87 5.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.823 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 71.94 70.96 1.12 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.446 ' OD2' ' OE2' ' A' ' 160' ' ' GLU . 98.3 m-20 -136.12 -44.76 0.64 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 91.96 1.35 70.35 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . 0.425 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 88.9 mtm180 -143.37 166.69 24.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 110.49 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.64 118.79 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.434 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -100.1 -168.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.253 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -64.52 -44.72 89.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.725 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -66.86 -47.95 70.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.045 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.568 ' CD ' HD21 ' A' ' 151' ' ' ASN . 89.8 mt-10 -64.25 -34.57 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.417 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -61.14 -43.35 99.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.62 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.28 -44.89 96.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.652 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . 0.428 HH21 ' CG ' ' A' ' 160' ' ' GLU . 90.9 mtm-85 -60.94 -38.54 86.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.3 ttt -60.1 -47.37 86.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.808 0.337 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 97.6 mmm . . . . . 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 179.773 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.671 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 101' ' ' VAL . 4.3 m -62.42 -33.78 61.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 110.503 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -59.23 -67.58 0.36 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.76 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 pt-20 -52.32 -14.88 0.51 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.0 mt -90.47 -46.2 8.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.679 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.533 ' NH1' ' CG ' ' A' ' 158' ' ' PHE . 15.5 tpt180 -62.1 -38.75 90.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.419 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 106' ' ' ASP . 64.1 t0 -62.67 -39.06 92.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.9 82.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.285 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.85 -49.97 75.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.438 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -67.13 -37.29 83.57 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.408 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -63.7 -12.58 35.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.159 0.504 . . . . 0.0 110.317 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.54 -8.29 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.769 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.444 ' OD1' ' OD1' ' A' ' 114' ' ' ASN . 39.4 t0 -88.08 96.45 10.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.897 0.38 . . . . 0.0 110.244 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 m -63.65 -41.1 98.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 28.6 p30 -83.74 -14.6 51.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.663 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 58.95 38.05 92.13 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 114' ' ' ASN . 49.1 p-10 -99.31 5.5 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.69 0.281 . . . . 0.0 110.315 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 82.19 11.59 82.09 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -140.49 154.64 46.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.873 0.368 . . . . 0.0 110.286 -179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.2 mt -118.64 117.0 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.023 0.439 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.522 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 4.8 p -95.68 -171.79 2.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.586 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.0 p -69.25 -40.82 77.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.397 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.8 p -74.65 -17.01 60.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.443 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 120' ' ' SER . 50.6 mt-10 -80.82 -14.07 58.38 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.497 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 89.4 mt -91.87 -21.3 20.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.663 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -63.93 -42.21 97.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.11 -40.25 86.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.79 -40.01 76.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 28.3 ttt -54.86 -39.01 68.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.232 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -62.92 -45.37 92.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.503 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -67.72 -46.9 70.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.996 0.427 . . . . 0.0 110.609 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . 0.4 ' HA ' HD12 ' A' ' 131' ' ' LEU . 53.7 tp . . . . . 0 N--CA 1.452 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.724 179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 7.3 mm . . . . . 0 C--O 1.23 0.076 0 CA-C-O 121.061 0.458 . . . . 0.0 110.427 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -88.71 -17.33 30.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.387 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -90.4 -39.85 12.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.384 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.97 -43.38 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 146' ' ' ARG . 6.2 tp -57.56 -39.14 67.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.607 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 145' ' ' ILE . 82.8 mtp180 -61.91 -44.85 95.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.621 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.93 -44.82 79.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.728 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.439 ' O ' ' SD ' ' A' ' 164' ' ' MET . 59.5 t -73.23 -51.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.483 ' OD2' ' CA ' ' A' ' 154' ' ' GLY . 44.3 t0 -85.26 69.5 10.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.858 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -82.35 10.23 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.451 ' OD1' ' OD1' ' A' ' 153' ' ' ASP . 3.4 t-20 -84.82 -29.31 25.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.676 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 88.95 2.59 77.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 153' ' ' ASP . 0.6 OUTLIER -81.05 -18.24 47.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.525 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.483 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 85.93 3.54 85.42 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -141.6 173.19 11.73 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.943 0.401 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.12 115.43 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -94.1 -167.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.39 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . 0.533 ' CG ' ' NH1' ' A' ' 105' ' ' ARG . 53.6 t80 -64.75 -42.96 94.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.649 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.23 -54.37 38.42 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.72 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 151' ' ' ASN . 90.4 mt-10 -61.98 -33.82 75.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.456 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -60.68 -47.22 87.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.59 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.5 -46.03 87.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.586 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -57.32 -44.76 84.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.516 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 148' ' ' VAL . 31.4 mmt -67.07 -36.31 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . 0.495 ' O ' ' SD ' ' A' ' 165' ' ' MET . 2.9 tmm? . . . . . 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.448 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.569 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.34 -18.7 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.29 -51.03 67.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.51 -14.5 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.996 0.427 . . . . 0.0 110.604 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 104' ' ' LEU . 10.6 mp -92.39 -44.23 8.81 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.276 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ARG . . . . . 0.632 ' NH2' ' NH2' ' A' ' 109' ' ' ARG . 59.0 ttt85 -60.97 -38.0 84.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.789 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -62.72 -44.22 96.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.18 90.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.362 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PHE . . . . . 0.478 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 81.1 t80 -61.03 -44.59 97.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.448 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ARG . . . . . 0.632 ' NH2' ' NH2' ' A' ' 105' ' ' ARG . 77.7 mmt-85 -58.6 -33.04 69.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -55.34 -51.42 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.732 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -62.03 -47.01 86.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.885 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ASP . . . . . 0.478 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 78.7 m-20 -77.95 69.0 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.621 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.0 m -62.13 -42.58 99.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASN . . . . . 0.776 HD22 ' H ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -63.01 -30.61 71.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLY . . . . . 0.776 ' H ' HD22 ' A' ' 114' ' ' ASN . . . 87.23 18.98 56.54 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 31.9 p-10 -65.62 -18.7 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.489 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.12 -4.48 74.46 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' GLU . . . . . 0.406 ' O ' ' OD2' ' A' ' 116' ' ' ASP . 11.6 pt-20 -143.65 158.23 43.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.374 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 65.6 mt -107.19 113.48 43.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 110.007 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.2 m -94.35 -171.2 2.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 145' ' ' ILE . 1.1 p -70.66 -41.71 71.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . 0.408 ' HB2' HH21 ' A' ' 125' ' ' ARG . 62.1 p -74.17 -23.77 59.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.658 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -68.83 -23.86 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.618 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.82 -35.93 79.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.786 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ARG . . . . . 0.408 HH21 ' HB2' ' A' ' 122' ' ' SER . 83.7 mtm180 -57.17 -42.42 81.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.419 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.93 -38.17 82.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.73 77.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.368 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.2 ttm -49.5 -43.44 45.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.254 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -62.79 -44.99 94.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.505 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -64.7 -39.99 94.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.495 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.6 tp . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 -179.733 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.1 mm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.839 0.352 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -54.63 -11.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.386 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -86.97 -38.72 16.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.71 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.49 -43.47 94.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 121' ' ' THR . 15.4 tt -61.02 -35.19 63.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.48 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -65.44 -41.04 93.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 57.4 t0 -63.09 -35.22 79.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 150' ' ' LEU . 35.5 t -91.15 -45.05 14.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.68 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 151' ' ' ASN . 28.2 t70 -71.7 44.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 68.4 mt -76.42 23.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.029 0.442 . . . . 0.0 110.334 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 149' ' ' ASP . 15.7 m120 -106.31 -3.4 21.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.694 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 62.18 61.79 6.3 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 153' ' ' ASP . 18.7 p-10 -150.41 -28.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.664 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' GLY . . . . . 0.414 ' H ' ' CG ' ' A' ' 149' ' ' ASP . . . 87.03 11.96 69.04 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -135.95 150.6 49.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.0 0.428 . . . . 0.0 110.391 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 74.5 t -126.25 106.43 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.57 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -89.15 -168.85 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.496 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.43 -36.85 82.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.658 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.72 -52.0 62.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.939 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.16 -32.19 73.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.59 -47.7 84.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.409 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.24 -43.74 88.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -56.16 -43.26 78.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.216 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 14.8 tpt -58.07 -47.04 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.229 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 51.1 ttp . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.245 -179.831 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 95.9 mt 53.18 94.48 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.591 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.425 ' O ' ' OE2' ' A' ' 103' ' ' GLU . . . 153.65 -78.83 0.2 Allowed Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 81.2 t -64.43 -23.1 32.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.741 0.305 . . . . 0.0 110.53 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -56.98 -72.38 0.08 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.682 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.471 ' OE2' ' N ' ' A' ' 104' ' ' LEU . 0.9 OUTLIER -58.75 -20.37 48.79 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.539 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.614 ' O ' HD13 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -67.51 -54.01 23.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 179.897 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 75.2 ttt180 -65.37 -22.64 66.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.472 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -66.99 -46.01 75.87 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.537 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.73 -37.24 86.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.41 179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -59.65 -45.68 91.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.404 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 15.4 tpt180 -60.74 -42.54 97.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.498 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' A' ' 113' ' ' THR . 41.7 tp10 -46.0 -62.34 1.36 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.598 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -61.49 -46.07 91.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.773 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.444 ' OD1' ' O ' ' A' ' 115' ' ' GLY . 10.9 t70 -82.75 51.15 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.562 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 110' ' ' GLU . 89.3 m -64.26 -44.6 91.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.629 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.518 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 38.9 p-10 -60.33 -42.11 94.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.411 -179.526 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.56 ' C ' ' H ' ' A' ' 117' ' ' GLY . . . 126.8 -137.19 9.82 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.051 -0.82 . . . . 0.0 111.051 179.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 70.77 -22.12 0.18 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.703 0.287 . . . . 0.0 110.426 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.56 ' H ' ' C ' ' A' ' 115' ' ' GLY . . . 74.38 14.8 80.59 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.435 ' O ' ' OD1' ' A' ' 112' ' ' ASP . 18.9 pt-20 -150.07 159.46 44.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.908 0.385 . . . . 0.0 110.54 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 62.6 mt -110.33 125.82 67.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.501 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.529 ' OG ' ' NH1' ' A' ' 155' ' ' ARG . 5.8 m -98.48 -167.27 1.47 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.559 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 4.2 p -76.05 -35.8 59.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.682 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.6 m -80.84 -17.47 50.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.524 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 120' ' ' SER . 49.9 mt-10 -77.43 -70.94 0.44 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.642 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 124' ' ' LEU . 0.6 OUTLIER -48.19 -32.67 7.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.437 -179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.536 ' NH2' ' OE2' ' A' ' 142' ' ' GLU . 43.2 ttm180 -61.38 -43.83 98.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.61 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 77.9 tt0 -62.54 -26.26 68.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.525 -179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.508 ' O ' HD13 ' A' ' 131' ' ' LEU . . . -84.56 -31.09 24.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.559 -179.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 9.9 mmt -59.7 -39.91 86.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.296 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.32 -44.17 92.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.385 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -67.21 -41.43 85.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.651 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.508 HD13 ' O ' ' A' ' 127' ' ' ALA . 7.1 mp -62.22 -42.93 99.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.72 -179.439 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 10.6 mp -83.62 -46.89 11.85 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.792 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 148.28 -95.62 0.17 Allowed Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -153.06 127.52 9.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.839 0.352 . . . . 0.0 110.66 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -138.63 111.37 7.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.778 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.5 t -65.94 -44.58 92.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.721 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.474 ' O ' ' NH1' ' A' ' 139' ' ' ARG . . . -123.1 -130.3 3.63 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.861 -0.895 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 59.2 t-80 46.53 88.0 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.948 0.404 . . . . 0.0 110.614 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.474 ' NH1' ' O ' ' A' ' 137' ' ' GLY . 82.5 mmt-85 -101.6 126.91 48.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.57 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.452 ' OD1' ' O ' ' A' ' 139' ' ' ARG . 63.7 m-20 -161.88 13.88 0.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.583 179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.524 ' H ' HD12 ' A' ' 141' ' ' ILE . 3.4 mp -69.42 -26.79 32.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.709 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.536 ' OE2' ' NH2' ' A' ' 125' ' ' ARG . 69.4 mm-40 -50.88 -15.83 0.34 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.494 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 141' ' ' ILE . 95.3 mt-10 -90.91 -37.97 13.19 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.594 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.4 mt -64.04 -44.09 97.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.607 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.413 HG23 ' N ' ' A' ' 146' ' ' ARG . 7.2 tp -55.82 -36.66 44.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.522 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.413 ' N ' HG23 ' A' ' 145' ' ' ILE . 79.7 mtp85 -65.77 -38.77 89.97 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.586 -179.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.464 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 14.9 m-20 -62.44 -40.06 95.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.403 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.8 t -79.91 -42.64 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.602 179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 31.8 t70 -77.99 56.77 1.64 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.728 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 39.1 mt -88.62 12.15 15.47 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.511 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.438 HD21 ' NH2' ' A' ' 163' ' ' ARG . 7.5 m120 -102.16 -15.03 16.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.634 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 81.1 -8.08 58.5 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.466 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.7 p-10 -69.04 -26.25 64.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 0.0 110.552 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.466 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 88.17 1.63 81.49 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.529 ' NH1' ' OG ' ' A' ' 120' ' ' SER . 96.1 mtt-85 -143.74 169.97 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.822 0.344 . . . . 0.0 110.651 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.9 t -121.25 122.46 67.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.548 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.42 ' OD1' ' CB ' ' A' ' 160' ' ' GLU . 49.6 p-10 -98.0 -160.43 0.8 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.546 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -74.1 -44.54 53.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.947 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 159' ' ' GLU . 58.9 mp0 -67.6 -45.53 75.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.848 -179.344 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.42 ' CB ' ' OD1' ' A' ' 157' ' ' ASP . 78.1 tt0 -61.99 -35.02 77.27 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.466 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' A' ' 161' ' ' PHE . 33.8 t80 -59.21 -45.53 90.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.551 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 58.0 t -63.15 -45.99 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.722 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . 0.438 ' NH2' HD21 ' A' ' 151' ' ' ASN . 89.1 mtm180 -59.76 -38.05 80.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.423 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 14.8 tpt -60.63 -42.53 97.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.412 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 165' ' ' MET . 14.0 tmm? -65.64 -36.12 82.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.417 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 33.4 m -71.25 149.61 46.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.606 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 91.9 mtm-85 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.598 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 45.7 ttp . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 90.3 mt -96.63 125.28 49.6 Favored 'Isoleucine or valine' 0 C--O 1.233 0.215 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.324 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 123.61 -126.77 6.32 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.866 -0.894 . . . . 0.0 110.866 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 102' ' ' LYS . 31.2 m -64.4 -42.4 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.736 0.303 . . . . 0.0 110.507 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.465 ' N ' HG23 ' A' ' 101' ' ' VAL . 69.5 mmtt -47.73 -60.2 2.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.395 -179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.501 ' O ' ' OD1' ' A' ' 106' ' ' ASP . 81.4 tt0 -52.66 -16.7 1.02 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.429 . . . . 0.0 110.412 179.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.594 ' O ' HD13 ' A' ' 104' ' ' LEU . 0.2 OUTLIER -93.75 -43.74 8.48 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 179.694 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.2 ttm180 -68.96 -17.39 63.94 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.69 -179.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.566 ' OD1' ' N ' ' A' ' 107' ' ' ALA . 41.5 p-10 -60.9 -43.53 98.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.708 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.566 ' N ' ' OD1' ' A' ' 106' ' ' ASP . . . -65.71 -36.76 84.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.97 0.414 . . . . 0.0 110.434 179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.486 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 65.1 t80 -60.69 -43.46 97.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.519 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.4 ttp180 -62.16 -42.92 99.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.635 -179.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -49.1 -55.31 12.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.756 -179.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -61.14 -44.97 96.49 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.486 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.486 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 43.1 m-20 -75.19 65.67 1.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.665 179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 12.9 m -62.58 -41.68 99.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.354 179.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -56.38 -40.27 74.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.121 -179.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 97.52 7.12 57.11 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.845 -0.902 . . . . 0.0 110.845 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 47.5 p-10 -63.53 -28.2 69.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.948 0.404 . . . . 0.0 110.405 179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.491 ' N ' ' OD1' ' A' ' 116' ' ' ASP . . . 97.05 2.89 59.18 Favored Glycine 0 CA--C 1.519 0.333 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.451 ' OE1' ' NH2' ' A' ' 155' ' ' ARG . 98.2 mt-10 -142.85 157.6 44.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.925 0.393 . . . . 0.0 110.491 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.5 mt -109.52 116.0 51.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.455 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 11.0 p -87.88 -172.69 3.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.622 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 121' ' ' THR . 1.3 p -73.03 -37.9 66.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.516 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.6 m -80.05 -20.53 45.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.509 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -76.14 -19.18 58.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.676 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 36.0 mt -76.27 -23.42 54.43 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.421 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 75.7 ttt180 -58.53 -43.99 89.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.247 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.511 ' OE2' ' NH2' ' A' ' 129' ' ' ARG . 69.8 mm-40 -64.04 -42.8 96.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.323 179.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.57 -42.43 95.64 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.471 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 39.5 ttm -54.96 -49.0 72.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.528 -179.776 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.511 ' NH2' ' OE2' ' A' ' 126' ' ' GLU . 86.1 mtm180 -64.25 -42.02 96.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.912 0.387 . . . . 0.0 111.007 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -64.1 -41.99 97.08 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.737 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 58.3 tp -63.59 -42.61 98.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.544 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 4.1 tp 64.62 14.9 9.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.683 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -80.24 -130.04 0.86 Allowed Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 77.9 m80 -76.07 131.53 39.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.937 0.398 . . . . 0.0 110.616 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.447 ' O ' ' O ' ' A' ' 136' ' ' VAL . 26.1 pt20 -153.1 -28.04 0.14 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.631 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 137' ' ' GLY . 21.7 t 55.21 161.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.678 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.509 ' N ' HG12 ' A' ' 136' ' ' VAL . . . -61.02 -37.02 93.19 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 76.3 m80 -77.65 147.8 35.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.749 0.309 . . . . 0.0 110.569 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -63.32 133.95 54.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.082 0.468 . . . . 0.0 110.445 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -137.9 20.92 2.85 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.549 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.53 -28.7 44.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.533 -179.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.557 ' N ' ' OE1' ' A' ' 142' ' ' GLU . 56.8 mp0 -91.69 -10.18 41.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.565 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 11.7 tm-20 -92.93 -33.17 14.29 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.766 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 145' ' ' ILE . 21.3 tt -68.17 -40.4 82.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.802 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.494 ' N ' HG23 ' A' ' 144' ' ' ILE . 14.0 tt -57.52 -33.12 43.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.646 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 79.1 mtp85 -64.21 -40.45 96.09 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.472 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 99.1 m-20 -62.85 -42.37 99.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.971 0.415 . . . . 0.0 110.49 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 4.8 t -78.76 -43.3 25.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.588 179.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.507 ' OD1' ' ND2' ' A' ' 151' ' ' ASN . 51.7 t0 -75.85 57.57 1.05 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.883 -179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.472 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 46.3 mt -92.81 30.44 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.385 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.806 ' H ' HD22 ' A' ' 151' ' ' ASN . 0.0 OUTLIER -124.7 -17.42 5.93 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.76 -179.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 82.94 78.67 1.05 Allowed Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.555 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.3 p-10 -157.43 -33.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.912 0.387 . . . . 0.0 110.578 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.555 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 88.54 13.18 63.61 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.451 ' NH2' ' OE1' ' A' ' 118' ' ' GLU . 6.0 ptm180 -152.15 168.9 23.82 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.964 0.412 . . . . 0.0 110.365 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 45.3 t -126.56 113.15 32.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.61 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 72.4 m-20 -90.44 -171.81 3.21 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.634 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 37.8 t80 -67.2 -40.91 86.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.766 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 14.1 tm-20 -66.87 -45.73 77.19 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.709 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 81.3 tt0 -65.49 -38.24 89.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.305 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.58 -47.08 87.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.737 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 78.5 t -66.58 -47.42 83.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.656 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 62.0 ttp180 -54.92 -43.25 73.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.295 -179.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.5 tpt -60.46 -46.33 90.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.49 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . 0.42 ' SD ' HD21 ' A' ' 104' ' ' LEU . 43.5 ttm -65.36 -39.38 92.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.495 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 96.3 p -74.95 159.09 32.24 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.498 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 60.5 ttt85 . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 118.046 -0.978 . . . . 0.0 110.531 179.896 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 98.9 mtp . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 4.8 mp -127.32 127.83 69.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.802 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 78.47 -119.65 5.19 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.154 -0.779 . . . . 0.0 111.154 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 24.7 t -61.0 -41.14 88.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.768 0.318 . . . . 0.0 110.42 -179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -51.7 -49.36 62.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.557 -179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -55.77 -19.75 12.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.373 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 55.3 mt -94.66 -51.17 4.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.903 0.382 . . . . 0.0 110.709 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -60.55 -41.78 95.24 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.257 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -64.0 -41.26 97.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.452 179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.15 -37.86 88.74 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.385 179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -61.95 -44.73 96.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.558 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 59.9 ttt85 -53.25 -42.56 66.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.328 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -44.61 -61.32 1.6 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.523 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 95.4 m-85 -61.81 -45.83 92.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.587 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.435 ' OD1' ' OD1' ' A' ' 114' ' ' ASN . 54.9 t0 -82.33 62.17 5.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.528 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 81.8 m -61.87 -44.78 96.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.566 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 114' ' ' ASN . 10.1 p-10 -60.43 -25.27 65.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.528 -179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 80.3 22.52 62.65 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 118' ' ' GLU . 44.8 p30 -66.74 -12.51 58.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.805 0.336 . . . . 0.0 110.547 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.31 1.49 90.36 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.427 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 17.2 pt-20 -145.71 158.41 43.85 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.882 0.373 . . . . 0.0 110.546 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 79.9 mt -115.29 115.89 50.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.537 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.414 ' H ' ' CG ' ' A' ' 123' ' ' GLU . 5.0 p -98.28 -170.88 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.642 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.5 p -69.84 -37.62 76.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.548 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.9 p -78.32 -16.39 57.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.425 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.414 ' CG ' ' H ' ' A' ' 120' ' ' SER . 76.7 mm-40 -76.29 -11.62 59.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.54 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 89.0 mt -93.22 -13.76 27.92 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.416 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -65.94 -39.82 90.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.433 179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 82.1 tt0 -68.35 -43.51 77.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.484 179.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.03 -19.29 61.87 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.561 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.438 ' C ' ' SD ' ' A' ' 128' ' ' MET . 0.9 OUTLIER -64.93 -39.07 92.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.467 -179.844 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 -61.68 -41.91 98.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.4 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -79.29 -23.43 43.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.449 179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.36 -37.41 85.58 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.437 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 2.9 mm? 60.63 16.79 6.88 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.417 -179.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -73.72 96.62 0.85 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 -179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -67.22 -38.54 85.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.87 0.367 . . . . 0.0 110.724 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -55.34 -30.07 59.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.721 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 24.6 t -75.67 130.85 35.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.597 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -70.57 140.56 32.13 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.414 ' O ' ' CD1' ' A' ' 141' ' ' ILE . 62.4 t-80 -67.63 -46.1 73.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.84 0.352 . . . . 0.0 110.772 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 48.3 mmm-85 -67.11 -38.53 85.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.625 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.691 ' C ' ' H ' ' A' ' 142' ' ' GLU . 92.3 m-20 -59.75 -101.42 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.636 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 138' ' ' HIS . 80.9 mt 61.26 -15.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.601 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.691 ' H ' ' C ' ' A' ' 140' ' ' ASP . 22.3 pt-20 -93.51 -12.31 29.95 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.647 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 72.1 mm-40 -95.33 -25.11 16.44 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.664 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 19.7 tt -64.93 -28.18 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.675 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.429 HG22 ' O ' ' A' ' 142' ' ' GLU . 20.2 tt -63.38 -31.24 52.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.631 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.7 mtt-85 -60.77 -42.87 98.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.748 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.7 -50.23 73.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.594 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 60.7 t -73.39 -43.96 55.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.735 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.521 ' OD2' ' N ' ' A' ' 155' ' ' ARG . 46.0 t0 -88.78 65.91 7.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.816 -179.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 16.4 mt -81.05 22.47 0.63 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.46 179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.4 ' OD1' ' OE2' ' A' ' 160' ' ' GLU . 10.1 t-20 -93.21 -28.2 16.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.727 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 89.45 7.77 68.99 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.408 ' N ' ' OD1' ' A' ' 153' ' ' ASP . 39.1 p-10 -89.91 -24.58 21.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.961 0.41 . . . . 0.0 110.684 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.434 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 94.37 3.64 63.01 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.841 -0.904 . . . . 0.0 110.841 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.521 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 87.6 mtm-85 -141.61 170.21 16.14 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.843 0.354 . . . . 0.0 110.64 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.97 113.61 27.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.652 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -94.16 -167.09 1.61 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.441 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 93.0 t80 -67.76 -32.41 72.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.72 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -75.37 -53.63 8.41 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.771 -179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.4 ' OE2' ' OD1' ' A' ' 151' ' ' ASN . 93.3 mt-10 -60.14 -31.65 70.28 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.433 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -64.79 -46.27 82.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.797 179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 90.0 t -68.0 -39.8 82.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.736 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -59.37 -35.66 74.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.745 -179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 164' ' ' MET . 0.7 OUTLIER -56.92 -47.31 80.89 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.531 -179.728 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 60.9 mtt -68.26 -36.02 78.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.532 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 42.9 t -59.96 -44.1 94.65 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.702 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 60.4 ttm-85 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.43 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 7.5 ptp . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.8 pt -129.19 163.37 34.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.582 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 93.96 -129.55 9.94 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 110.798 -0.921 . . . . 0.0 110.798 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.4 ' H ' HG23 ' A' ' 101' ' ' VAL . 28.2 t -41.71 -29.82 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 110.692 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -68.87 -69.24 0.34 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.747 179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -54.29 -20.37 6.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.447 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.3 mp -87.06 -52.33 5.49 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.735 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.0 ttt85 -61.43 -39.33 90.41 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.177 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -62.0 -41.92 98.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.47 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.3 -39.8 95.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.431 179.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -60.93 -43.39 98.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.554 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -55.68 -43.37 76.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 -179.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 70.9 mm-40 -45.56 -54.74 7.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.628 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -61.94 -44.25 97.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.522 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.499 ' CG ' ' H ' ' A' ' 117' ' ' GLY . 34.5 t70 -85.97 58.62 5.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.547 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 14.4 m -61.22 -42.64 98.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.557 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.702 HD22 ' N ' ' A' ' 114' ' ' ASN . 0.0 OUTLIER -60.21 -21.3 61.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.528 -179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.679 ' H ' HD22 ' A' ' 114' ' ' ASN . . . 79.64 20.98 67.43 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -67.83 -20.27 65.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.78 0.324 . . . . 0.0 110.459 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.499 ' H ' ' CG ' ' A' ' 112' ' ' ASP . . . 89.97 -7.27 81.99 Favored Glycine 0 CA--C 1.523 0.538 0 N-CA-C 110.865 -0.894 . . . . 0.0 110.865 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.444 ' O ' ' OE1' ' A' ' 123' ' ' GLU . 95.3 mt-10 -139.8 156.76 46.58 Favored 'General case' 0 CA--C 1.52 -0.192 0 CA-C-O 120.709 0.29 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 66.3 mt -109.28 120.15 60.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.289 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.443 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 5.6 t -97.46 -162.15 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.441 179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 2.3 p -83.56 -30.78 26.77 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.31 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.3 m -86.84 -19.41 29.01 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.373 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' A' ' 118' ' ' GLU . 46.7 mt-10 -69.94 -19.07 63.39 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.734 179.666 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 83.8 mt -76.42 -18.32 58.89 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.585 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.01 -44.89 95.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.584 179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 126' ' ' GLU . 56.8 mp0 -66.92 -40.54 87.68 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.461 179.447 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -64.33 -40.26 95.53 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.276 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 7.8 tpp -45.43 -44.33 12.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.274 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -62.92 -43.9 97.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.451 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -64.84 -43.14 94.01 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.684 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 133' ' ' GLY . 58.3 tp -61.39 -41.63 97.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.306 -179.232 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.9 tp 51.53 16.72 0.47 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.723 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.421 ' H ' ' HG ' ' A' ' 131' ' ' LEU . . . -53.71 163.29 2.88 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -76.2 -16.8 59.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.789 0.328 . . . . 0.0 110.532 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -59.08 142.91 50.18 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.513 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 22.4 m -113.63 132.4 62.68 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.548 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -159.29 101.6 0.2 Allowed Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.609 -0.997 . . . . 0.0 110.609 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.599 ' C ' ' H ' ' A' ' 140' ' ' ASP . 79.4 m80 -103.97 126.42 51.07 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.591 0.234 . . . . 0.0 110.534 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 63.64 -13.02 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.536 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.599 ' H ' ' C ' ' A' ' 138' ' ' HIS . 25.9 t70 -84.44 -98.51 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.448 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.518 HG22 ' O ' ' A' ' 141' ' ' ILE . 73.1 mt 59.65 -3.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.623 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.566 ' H ' ' C ' ' A' ' 140' ' ' ASP . 95.7 mt-10 -76.0 -12.26 60.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.622 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -91.66 -33.42 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.924 0.392 . . . . 0.0 110.36 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.82 -43.71 93.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.537 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 12.5 tt -54.7 -35.59 33.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.371 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.538 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 95.2 mtt-85 -60.98 -42.55 98.57 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.588 -179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -65.91 -49.92 66.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.062 0.458 . . . . 0.0 110.668 179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 83.5 t -68.87 -44.52 81.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.485 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.463 ' OD2' ' N ' ' A' ' 155' ' ' ARG . 52.0 t0 -89.66 58.51 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.972 -179.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 6.1 mt -68.86 5.37 1.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.459 ' H ' ' C ' ' A' ' 149' ' ' ASP . 20.2 t-20 -66.92 -41.51 86.92 Favored 'General case' 0 C--N 1.315 -0.927 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.453 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 92.0 30.35 10.4 Favored Glycine 0 N--CA 1.463 0.434 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 53.9 p-10 -129.58 -11.98 4.42 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-O 120.616 0.246 . . . . 0.0 110.652 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.452 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 86.49 11.07 72.37 Favored Glycine 0 CA--C 1.522 0.525 0 N-CA-C 110.769 -0.932 . . . . 0.0 110.769 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.463 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 41.9 ttm180 -135.17 151.28 50.52 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.764 0.316 . . . . 0.0 110.569 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 3.3 t -133.03 102.55 5.1 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 179.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.512 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 21.6 t0 -86.21 -153.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.469 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.512 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 92.1 t80 -77.95 -36.18 49.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.901 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 41.7 tp10 -75.24 -49.74 18.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.914 -179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 90.3 mt-10 -61.89 -27.39 68.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.455 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 79.4 t80 -63.27 -46.85 84.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.67 179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 87.1 t -66.97 -32.8 59.63 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.685 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 60.4 ttt85 -53.66 -33.15 54.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.421 -179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.4 ttt -58.19 -43.09 87.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.476 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 36.2 tpp -65.19 -37.3 86.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.363 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 36.0 t -71.04 143.0 50.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.555 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 117.894 -1.05 . . . . 0.0 110.679 179.897 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.477 ' N ' ' SD ' ' A' ' 98' ' ' MET . 2.4 mpt? . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 99' ' ' ILE . 3.5 mp -64.43 -45.11 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.605 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 117.13 -39.56 2.63 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.401 HG23 ' N ' ' A' ' 102' ' ' LYS . 28.7 m -64.03 -38.38 82.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.777 0.322 . . . . 0.0 110.695 -179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 104' ' ' LEU . 88.6 tttt -58.32 -65.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.518 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -44.26 -20.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.543 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 102' ' ' LYS . 91.5 mt -95.19 -42.39 8.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.629 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 44.3 ttm180 -61.24 -35.38 77.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.564 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -61.98 -43.12 99.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.567 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.93 -37.32 86.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.55 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -61.11 -41.2 96.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.541 179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 40.9 mmm-85 -62.34 -38.06 88.04 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.427 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -54.97 -50.94 67.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.558 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -61.88 -43.11 99.52 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.555 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.556 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 29.4 t0 -77.34 68.7 3.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.567 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 65.0 m -64.01 -42.3 97.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.493 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.584 HD21 ' CD ' ' A' ' 123' ' ' GLU . 0.9 OUTLIER -61.89 -39.72 92.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.599 -179.829 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.488 ' N ' ' OD1' ' A' ' 112' ' ' ASP . . . 95.91 12.66 52.25 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' A' ' 117' ' ' GLY . 50.6 p-10 -63.37 -20.71 65.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.816 0.341 . . . . 0.0 110.555 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 94.85 -0.16 64.52 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.885 -0.886 . . . . 0.0 110.885 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 97.7 mt-10 -144.34 157.39 44.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.929 0.395 . . . . 0.0 110.528 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 19.2 mm -104.93 116.37 48.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.562 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.2 p -93.3 -164.06 1.13 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.538 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 31.9 p -85.19 -25.44 27.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.499 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 57.1 m -88.25 -19.56 26.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.563 179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.584 ' CD ' HD21 ' A' ' 114' ' ' ASN . 50.3 mt-10 -70.53 -20.87 62.79 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.532 179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 39.6 mt -68.57 -35.02 76.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.575 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 17.0 tpt180 -48.98 -41.8 35.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.539 -179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -65.98 -39.07 90.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.469 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 130' ' ' LYS . . . -68.38 -41.82 80.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.464 -179.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 85.4 mmm -46.83 -39.85 12.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.397 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.486 ' O ' HD21 ' A' ' 132' ' ' LEU . 83.9 mtt85 -62.71 -27.0 68.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.433 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.434 ' N ' ' O ' ' A' ' 127' ' ' ALA . 65.6 tttm -81.03 -33.5 33.51 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.433 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.511 ' O ' ' N ' ' A' ' 133' ' ' GLY . 10.9 mp -61.59 -42.95 99.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.413 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.486 HD21 ' O ' ' A' ' 129' ' ' ARG . 71.3 mt 45.81 14.13 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.501 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 131' ' ' LEU . . . -66.05 -43.35 93.59 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.586 ' N ' ' ND1' ' A' ' 134' ' ' HIS . 2.6 p-80 -173.27 121.89 0.37 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.805 0.336 . . . . 0.0 110.709 -179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -99.23 83.94 2.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.756 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 77.1 t -63.02 -45.39 98.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.622 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 100.5 -25.69 27.38 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.586 ' ND1' ' N ' ' A' ' 139' ' ' ARG . 60.7 t-80 -87.23 171.76 10.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.77 0.319 . . . . 0.0 110.604 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.586 ' N ' ' ND1' ' A' ' 138' ' ' HIS . 90.1 mtm180 -70.46 128.69 37.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.677 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.408 ' C ' ' OE1' ' A' ' 143' ' ' GLU . 41.1 t0 -166.37 2.12 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.611 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.416 ' C ' ' H ' ' A' ' 143' ' ' GLU . 67.6 mt -73.17 -41.23 58.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.648 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 22.0 pt-20 -53.76 -9.89 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.57 -179.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.567 ' N ' ' OE1' ' A' ' 143' ' ' GLU . 52.2 mp0 -90.78 -36.27 14.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.529 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 96.6 mt -65.45 -42.04 92.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.642 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.488 HG23 ' N ' ' A' ' 146' ' ' ARG . 4.3 tp -61.8 -40.92 88.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.593 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.488 ' N ' HG23 ' A' ' 145' ' ' ILE . 79.1 mtp85 -60.37 -45.93 91.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.548 -179.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -65.21 -49.1 71.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.527 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 98.4 t -68.53 -44.99 82.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.531 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.533 ' C ' ' H ' ' A' ' 151' ' ' ASN . 46.2 t0 -85.54 46.18 1.27 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.534 -179.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.3 mt -68.01 13.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.548 179.549 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.533 ' H ' ' C ' ' A' ' 149' ' ' ASP . 26.4 t-20 -79.38 -34.63 41.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.598 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 91.47 37.83 6.07 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.84 -0.904 . . . . 0.0 110.84 -179.646 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 52.1 p-10 -124.82 -20.96 4.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.812 0.339 . . . . 0.0 110.668 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.442 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 93.92 -0.8 67.37 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.462 ' N ' ' OD2' ' A' ' 149' ' ' ASP . 89.9 mtm-85 -142.26 167.47 22.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.83 0.348 . . . . 0.0 110.61 179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.5 t -127.62 108.84 18.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 53.5 p-10 -91.33 -164.6 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.766 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -64.77 -43.67 92.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.633 -179.261 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -68.7 -53.53 21.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.592 -178.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 155' ' ' ARG . 93.3 mt-10 -58.3 -32.3 68.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.518 -179.652 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . 0.452 ' O ' ' CG ' ' A' ' 164' ' ' MET . 84.0 t80 -60.57 -47.65 85.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.635 179.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 89.1 t -69.49 -41.93 80.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.67 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 42.0 mmm-85 -48.85 -23.49 1.11 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.488 -179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.513 ' C ' ' SD ' ' A' ' 164' ' ' MET . 3.2 ppp? -59.43 -36.26 75.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.651 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . 0.412 ' N ' ' CG ' ' A' ' 164' ' ' MET . 3.8 mmt -66.08 -37.76 86.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 -179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 11.6 t -61.61 -42.44 98.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.545 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 64.2 ttm-85 . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.996 -1.002 . . . . 0.0 110.625 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 93.0 mmm . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.3 tt -53.37 146.38 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.56 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.466 ' O ' ' N ' ' A' ' 102' ' ' LYS . . . 103.55 -104.45 2.5 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 69.0 t -43.86 -20.86 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.642 0.258 . . . . 0.0 110.529 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.466 ' N ' ' O ' ' A' ' 100' ' ' GLY . 63.9 tttp -66.04 -71.68 0.18 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.4 tp10 -52.16 -27.71 15.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.447 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.411 HD12 ' N ' ' A' ' 104' ' ' LEU . 10.9 mp -78.44 -47.38 17.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -65.29 -37.7 87.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.175 179.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -60.71 -47.0 88.24 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.457 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.66 -41.28 98.21 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.32 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -61.87 -48.07 82.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.502 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -63.51 -38.58 91.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.334 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -51.58 -50.43 60.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.771 -179.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 65.8 m-85 -60.9 -45.95 92.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.763 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -51.44 96.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.506 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 58.5 m -87.88 -27.4 22.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.812 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.469 HD21 ' CG ' ' A' ' 116' ' ' ASP . 49.3 p30 -96.49 -19.43 19.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.677 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.469 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 77.0 25.65 63.86 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.469 ' CG ' HD21 ' A' ' 114' ' ' ASN . 36.5 p-10 -77.27 -3.48 40.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.753 0.311 . . . . 0.0 110.463 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 78.39 7.6 87.85 Favored Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.691 ' O ' 'CA ' ' A' ' 302' ' ' ' CA' . 12.5 pt-20 -147.87 160.15 43.08 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.921 0.391 . . . . 0.0 110.566 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.1 mm -113.92 124.42 70.55 Favored 'Isoleucine or valine' 0 C--O 1.233 0.188 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.262 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.3 p -117.66 -164.96 1.04 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.621 -179.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 74.6 p -69.4 -43.77 72.8 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.624 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 28.5 t -66.33 -16.1 63.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.317 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.42 ' OE2' ' OD2' ' A' ' 116' ' ' ASP . 50.0 mt-10 -94.7 -53.45 3.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.427 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.44 -39.29 83.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.413 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.421 ' HE ' HG13 ' A' ' 141' ' ' ILE . 43.3 ttm180 -55.75 -43.52 76.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.466 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 94.5 mt-10 -66.18 -19.99 66.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.45 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -85.38 -39.53 17.49 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.049 0.452 . . . . 0.0 110.533 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 49.9 ttp -47.1 -24.11 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.405 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -67.65 -46.83 71.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.015 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.474 ' CG ' ' N ' ' A' ' 131' ' ' LEU . 17.0 ptmt -84.91 -40.64 16.79 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.478 -179.505 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.552 ' O ' ' N ' ' A' ' 133' ' ' GLY . 40.1 tp -63.14 -49.0 76.1 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.223 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.8 tp 43.54 16.0 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.225 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.859 179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 131' ' ' LEU . . . -62.23 -38.98 97.09 Favored Glycine 0 CA--C 1.519 0.318 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -103.26 94.06 5.31 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.895 0.379 . . . . 0.0 110.717 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -69.23 -42.76 75.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.717 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 23.0 m -83.48 23.09 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.608 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.455 ' HA3' HD11 ' A' ' 144' ' ' ILE . . . -62.83 -3.44 5.91 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 56.26 170.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.685 0.279 . . . . 0.0 110.568 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -65.94 -37.86 87.11 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.605 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.433 ' O ' ' OE1' ' A' ' 143' ' ' GLU . 90.7 m-20 -75.67 117.08 17.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.537 -179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.421 HG13 ' HE ' ' A' ' 125' ' ' ARG . 15.2 mm -85.72 -12.43 11.22 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -54.63 -19.24 5.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.563 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.562 ' N ' ' OE1' ' A' ' 143' ' ' GLU . 57.2 mp0 -86.4 -41.21 14.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.494 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.455 HD11 ' HA3' ' A' ' 137' ' ' GLY . 96.9 mt -66.08 -43.54 92.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.702 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.411 HD12 ' HA ' ' A' ' 145' ' ' ILE . 10.7 tp -62.99 -28.12 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.569 -179.668 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -60.72 -42.35 97.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.504 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.66 -49.45 76.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.369 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 7.4 t -72.09 -42.83 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.011 0.434 . . . . 0.0 110.639 179.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.474 ' C ' ' H ' ' A' ' 151' ' ' ASN . 33.8 t70 -87.14 59.37 5.56 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.809 -179.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.27 21.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.509 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.474 ' H ' ' C ' ' A' ' 149' ' ' ASP . 11.3 m120 -103.17 -16.13 15.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.609 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 74.19 6.82 75.81 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.41 ' OD1' ' OD1' ' A' ' 149' ' ' ASP . 44.2 p-10 -93.45 -21.09 19.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.876 0.37 . . . . 0.0 110.68 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.45 ' N ' ' OD2' ' A' ' 149' ' ' ASP . . . 83.88 12.68 76.68 Favored Glycine 0 CA--C 1.522 0.471 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.791 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -134.39 146.26 49.72 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.9 0.381 . . . . 0.0 110.499 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 53.6 t -119.97 134.19 64.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.358 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -116.6 -169.15 1.57 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -67.17 -44.98 78.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.005 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.442 ' CG ' ' N ' ' A' ' 160' ' ' GLU . 15.8 pt-20 -65.28 -43.06 92.42 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.619 -179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.442 ' N ' ' CG ' ' A' ' 159' ' ' GLU . 83.3 mt-10 -65.92 -32.21 73.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.424 179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.9 t80 -61.41 -47.3 86.43 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.639 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 91.8 t -66.64 -43.25 90.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.581 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 57.7 ttp180 -56.19 -42.81 77.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.519 -179.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.444 ' C ' ' SD ' ' A' ' 164' ' ' MET . 0.6 OUTLIER -59.84 -41.11 90.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.582 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 26.3 ttt -61.48 -43.46 98.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.606 179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.434 ' O ' ' O ' ' A' ' 167' ' ' ARG . 36.9 t -61.0 -43.83 98.31 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.52 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 166' ' ' SER . 74.4 ttp85 . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.488 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . 0.691 'CA ' ' O ' ' A' ' 118' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.606 ' N ' ' SD ' ' A' ' 98' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.2 mt 50.15 91.58 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.506 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 160.74 -84.97 0.12 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 5.9 m -63.12 -36.01 74.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.608 0.242 . . . . 0.0 110.528 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -61.8 -58.77 6.71 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.425 -179.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -56.94 -20.02 21.27 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.952 0.406 . . . . 0.0 110.808 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 66.1 mt -88.91 -44.59 10.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.566 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.418 ' NE ' ' CZ ' ' A' ' 158' ' ' PHE . 29.0 mmt180 -61.04 -36.26 79.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.449 179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -63.75 -45.23 90.77 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.37 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.58 -40.32 95.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.351 179.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -62.35 -46.29 89.37 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.462 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -63.63 -36.86 85.23 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.4 tt0 -54.03 -47.27 71.73 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.473 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 69.2 m-85 -66.06 -41.07 91.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.507 179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.7 t0 -70.88 72.94 0.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.494 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.9 m -62.33 -42.34 99.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.497 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -62.57 -41.48 98.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.245 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 95.67 8.88 58.02 Favored Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -65.07 -18.83 65.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.931 0.396 . . . . 0.0 110.459 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 98.46 -0.63 58.37 Favored Glycine 0 CA--C 1.52 0.405 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.534 ' N ' ' OE1' ' A' ' 118' ' ' GLU . 56.2 mp0 -143.35 158.55 43.54 Favored 'General case' 0 CA--C 1.519 -0.224 0 CA-C-O 120.93 0.395 . . . . 0.0 110.485 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.4 mm -102.81 121.71 54.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.045 0.45 . . . . 0.0 110.496 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.455 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 2.7 m -84.99 -161.15 0.55 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.483 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 18.7 p -89.08 -26.94 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.441 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 79.3 p -88.64 -20.4 24.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.585 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 120' ' ' SER . 46.1 mt-10 -64.76 -22.31 66.96 Favored 'General case' 0 C--N 1.334 -0.107 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.731 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.515 HD22 ' N ' ' A' ' 124' ' ' LEU . 3.9 mm? -69.46 -33.26 72.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.646 179.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 58.4 ttm-85 -55.48 -44.41 76.47 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.16 -179.009 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -63.99 -41.41 97.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.588 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 130' ' ' LYS . . . -66.1 -41.32 90.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.423 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.5 tpp -43.84 -43.06 6.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.444 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.541 ' O ' ' N ' ' A' ' 133' ' ' GLY . 74.4 ttp85 -64.69 -39.27 93.38 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.421 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.405 ' N ' ' O ' ' A' ' 127' ' ' ALA . 30.3 mmtp -63.62 -43.5 96.65 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.431 -179.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.432 ' N ' HD12 ' A' ' 131' ' ' LEU . 11.1 mp -62.32 -42.88 99.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.74 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.497 ' N ' HD12 ' A' ' 132' ' ' LEU . 10.5 mp -87.03 -14.7 40.8 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.438 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . 69.15 -10.53 1.72 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.847 -0.901 . . . . 0.0 110.847 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.482 ' O ' ' O ' ' A' ' 135' ' ' GLN . 80.6 m80 -153.33 154.23 34.14 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.563 0.22 . . . . 0.0 110.558 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.482 ' O ' ' O ' ' A' ' 134' ' ' HIS . 96.1 mt-30 57.02 141.51 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.159 0.504 . . . . 0.0 110.804 179.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.503 HG23 ' N ' ' A' ' 137' ' ' GLY . 19.3 m -66.46 -40.61 86.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.566 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.503 ' N ' HG23 ' A' ' 136' ' ' VAL . . . 126.1 156.61 9.31 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 54.2 t-80 -67.6 -56.85 7.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.718 0.294 . . . . 0.0 110.683 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.425 ' CG ' ' H ' ' A' ' 140' ' ' ASP . 15.7 tpp180 -172.75 -127.84 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.807 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.425 ' H ' ' CG ' ' A' ' 139' ' ' ARG . 98.6 m-20 54.14 18.79 1.88 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.548 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 67.0 mt -73.8 -24.72 19.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.452 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.501 ' N ' ' OE1' ' A' ' 142' ' ' GLU . 49.9 mp0 -92.59 -9.43 41.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.379 -179.589 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -94.0 -33.55 13.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.617 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 145' ' ' ILE . 21.0 tt -67.36 -40.4 84.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.754 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 149' ' ' ASP . 10.2 tp -56.91 -39.32 64.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.773 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.476 ' N ' HG23 ' A' ' 145' ' ' ILE . 62.2 ttp180 -63.77 -41.32 97.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.518 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -62.28 -38.08 87.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.576 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 13.3 t -88.91 -27.6 5.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.645 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 145' ' ' ILE . 36.4 t70 -90.73 44.15 1.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.714 -179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 58.6 mt -75.17 21.78 0.12 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.589 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.828 HD22 ' H ' ' A' ' 153' ' ' ASP . 0.8 OUTLIER -97.53 -28.54 13.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.543 -179.66 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 90.37 10.53 63.74 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 110.89 -0.884 . . . . 0.0 110.89 -179.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.828 ' H ' HD22 ' A' ' 151' ' ' ASN . 11.7 m-20 -92.41 -25.43 18.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.032 0.444 . . . . 0.0 110.456 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 97.34 1.25 59.32 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.78 -0.928 . . . . 0.0 110.78 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.428 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 0.0 OUTLIER -147.01 173.24 12.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 110.336 -179.858 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 45.8 t -121.24 112.59 36.2 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.154 0 CA-C-O 120.986 0.422 . . . . 0.0 110.465 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -91.7 -176.68 4.55 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.485 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.418 ' CZ ' ' NE ' ' A' ' 105' ' ' ARG . 69.0 t80 -63.22 -43.73 97.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.565 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -63.05 -47.73 81.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.659 -179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.473 ' OE2' ' CB ' ' A' ' 151' ' ' ASN . 93.3 mt-10 -64.67 -37.81 88.86 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.309 179.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -60.56 -45.56 93.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.555 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 79.5 t -63.74 -48.25 87.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.551 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 73.1 ttp85 -54.81 -44.38 73.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.221 -179.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 11.7 tpt -61.09 -45.87 92.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.427 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 59.0 tpp -66.61 -41.04 89.03 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.43 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 83.3 p -74.82 159.22 32.22 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.485 -179.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 . . . . . 0 C--O 1.22 -0.471 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.476 -179.936 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 52.7 ttp . . . . . 0 N--CA 1.488 1.473 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 21.1 tt -142.1 145.71 23.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.439 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 95.84 -88.86 1.08 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 95.3 t -62.16 -44.75 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 110.54 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -60.35 -59.28 5.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.652 -179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -51.88 -17.64 1.04 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.722 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.464 HD21 ' SD ' ' A' ' 165' ' ' MET . 58.4 mt -94.18 -48.85 6.01 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.657 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.481 HH12 ' NH1' ' A' ' 109' ' ' ARG . 73.1 ttp85 -63.22 -41.59 99.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.274 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -64.91 -42.36 94.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.546 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.0 92.82 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.414 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -63.36 -47.11 83.5 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.53 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.481 ' NH1' HH12 ' A' ' 105' ' ' ARG . 87.1 mtm180 -59.6 -33.28 71.28 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.402 -179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 43.5 tp10 -54.5 -55.53 28.07 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.538 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.523 ' O ' ' N ' ' A' ' 113' ' ' THR . 92.2 m-85 -61.7 -44.18 97.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.515 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 43.0 t0 -60.53 75.06 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.603 -179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.523 ' N ' ' O ' ' A' ' 111' ' ' PHE . 75.6 m -63.41 -43.52 97.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.442 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.449 ' HB2' 'CA ' ' A' ' 302' ' ' ' CA' . 24.5 m120 -64.25 -42.85 96.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.052 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 93.14 11.41 58.67 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.731 -0.948 . . . . 0.0 110.731 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.44 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 29.3 p-10 -71.72 -6.35 40.65 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.963 0.411 . . . . 0.0 110.642 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 92.27 -0.93 72.43 Favored Glycine 0 N--CA 1.461 0.346 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 179.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -138.74 156.81 47.06 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-O 121.039 0.447 . . . . 0.0 110.47 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.8 mm -104.99 115.94 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.091 0.472 . . . . 0.0 110.483 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.539 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 15.3 m -90.72 -175.42 4.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.44 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 56.9 p -71.65 -36.45 70.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.252 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 34.0 t -76.14 -22.68 55.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.238 179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.539 ' CD ' ' H ' ' A' ' 120' ' ' SER . 44.5 mt-10 -71.56 -21.19 61.92 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.748 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 91.7 mt -81.61 -18.45 44.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.625 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -62.52 -43.9 97.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.565 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 40.7 tp10 -66.64 -40.38 88.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.69 -35.75 81.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.343 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -54.05 -37.82 64.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.2 -179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -59.53 -46.49 88.7 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.833 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -72.52 -38.07 68.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.708 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 34.6 tp -58.72 -52.45 65.63 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.437 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 38.3 mt -143.69 -48.58 0.3 Allowed 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.845 179.185 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 163.05 -144.23 9.38 Favored Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.891 -0.884 . . . . 0.0 110.891 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.574 ' CG ' ' N ' ' A' ' 135' ' ' GLN . 85.5 t60 -152.44 166.68 31.18 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.879 0.371 . . . . 0.0 110.665 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.574 ' N ' ' CG ' ' A' ' 134' ' ' HIS . 55.9 tt0 56.53 70.41 0.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.424 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 12.2 p -142.58 146.97 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.627 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 42.23 -100.24 0.02 OUTLIER Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.455 ' O ' ' N ' ' A' ' 140' ' ' ASP . 50.0 p-80 -147.55 165.38 30.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.843 0.354 . . . . 0.0 110.635 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -52.93 89.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.437 -179.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.455 ' N ' ' O ' ' A' ' 138' ' ' HIS . 35.4 p-10 -99.59 0.85 43.01 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.528 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 64.6 mt -65.02 -43.31 96.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.651 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -63.5 -13.32 39.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.61 -179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -93.41 -30.27 15.16 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.598 -179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 94.7 mt -63.72 -42.88 97.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.654 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.424 HG23 ' N ' ' A' ' 146' ' ' ARG . 8.9 tp -48.88 -36.71 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.748 -179.06 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.424 ' N ' HG23 ' A' ' 145' ' ' ILE . 87.5 mtm180 -65.51 -38.17 88.92 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.607 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.478 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 64.9 t0 -59.96 -43.81 94.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.609 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 5.5 t -83.09 -43.27 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.625 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 54.2 t0 -72.92 56.3 0.42 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.913 -179.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.478 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 62.2 mt -92.99 19.44 7.79 Favored 'General case' 0 CA--C 1.515 -0.386 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.586 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.513 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 51.9 p-10 -113.21 -27.03 8.14 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.518 -179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.497 ' N ' ' OD1' ' A' ' 151' ' ' ASN . . . 94.28 80.1 1.47 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 41.9 p-10 -159.3 -34.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.925 0.393 . . . . 0.0 110.551 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.522 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 96.4 -0.54 61.72 Favored Glycine 0 CA--C 1.521 0.413 0 N-CA-C 110.9 -0.88 . . . . 0.0 110.9 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.447 ' O ' ' OD2' ' A' ' 153' ' ' ASP . 99.6 mtt180 -145.38 173.25 12.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-O 120.88 0.371 . . . . 0.0 110.608 -179.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 11.4 t -119.51 114.55 44.76 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 121.081 0.467 . . . . 0.0 110.103 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.504 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 28.7 t70 -92.93 -175.41 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.499 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.504 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 76.3 t80 -63.98 -43.06 96.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.454 179.647 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -67.72 -44.38 77.75 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.513 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 80.0 tt0 -64.69 -35.63 81.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.351 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -60.86 -46.17 91.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.549 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 78.7 t -63.07 -45.89 97.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.457 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . 0.4 ' O ' ' OG ' ' A' ' 166' ' ' SER . 17.8 mmm180 -57.62 -36.09 71.34 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.475 -179.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.454 ' C ' ' SD ' ' A' ' 164' ' ' MET . 13.4 tmm? -60.88 -44.56 96.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.829 179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . 0.464 ' SD ' HD21 ' A' ' 104' ' ' LEU . 32.0 ttm -68.39 -38.73 81.6 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.557 179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' A' ' 163' ' ' ARG . 88.8 p -60.92 -35.57 77.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.374 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 . . . . . 0 C--O 1.219 -0.52 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.613 179.898 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . 0.449 'CA ' ' HB2' ' A' ' 114' ' ' ASN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.512 ' N ' ' SD ' ' A' ' 98' ' ' MET . 2.1 mpt? . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 37.2 pt -130.12 161.94 38.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.967 0.413 . . . . 0.0 110.68 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 83.99 -83.85 1.6 Allowed Glycine 0 CA--C 1.522 0.524 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 85.5 t -63.21 -43.92 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.815 0.341 . . . . 0.0 110.501 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -61.19 -47.81 84.43 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.705 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 81.6 tt0 -59.53 -17.66 34.03 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.206 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 68.3 mt -93.87 -49.91 5.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.91 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.499 ' NH1' ' NH2' ' A' ' 109' ' ' ARG . 74.3 ttp85 -61.07 -40.88 95.34 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.3 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 49.2 t0 -63.25 -41.93 99.12 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.633 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.52 -41.26 98.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.432 179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -62.19 -47.01 86.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.544 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.499 ' NH2' ' NH1' ' A' ' 105' ' ' ARG . 44.9 ttm180 -61.9 -42.31 98.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.446 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 46.2 tp10 -48.23 -64.28 0.84 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.757 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.577 ' O ' ' N ' ' A' ' 113' ' ' THR . 66.1 m-85 -57.3 -37.99 73.29 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.24 -179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.8 t0 -57.02 75.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.923 0.392 . . . . 0.0 110.67 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.577 ' N ' ' O ' ' A' ' 111' ' ' PHE . 16.6 m -68.85 -33.9 74.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.684 179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -69.16 -39.79 78.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.982 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 84.28 11.81 77.43 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 27.6 p30 -83.05 -3.23 57.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.835 0.35 . . . . 0.0 110.622 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 82.7 14.78 74.89 Favored Glycine 0 CA--C 1.522 0.47 0 N-CA-C 111.039 -0.824 . . . . 0.0 111.039 179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -150.16 160.22 43.84 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.609 0.242 . . . . 0.0 110.451 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.7 mt -120.16 117.37 53.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.567 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.5 t -107.19 -168.34 1.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.487 179.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 30.5 p -66.9 -48.28 69.19 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.497 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 90.2 p -69.02 -13.08 62.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.214 179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -95.81 -58.6 2.06 Favored 'General case' 0 N--CA 1.462 0.135 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.295 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.68 HD23 ' O ' ' A' ' 124' ' ' LEU . 1.4 tt -49.4 -33.68 14.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.181 -0.463 . . . . 0.0 109.876 -179.543 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 73.6 ttt-85 -58.57 -44.06 89.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.352 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -67.49 -32.81 73.89 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.439 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -65.85 -36.12 82.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.466 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . 0.502 ' SD ' HG23 ' A' ' 141' ' ' ILE . 91.8 mtp -63.53 -40.4 96.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.347 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 133' ' ' GLY . 61.9 ttp180 -60.47 -46.27 90.69 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.128 0.489 . . . . 0.0 110.188 -179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 70.0 mmtt -66.03 -33.16 75.16 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.358 179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 31.9 tp -62.16 -43.96 97.67 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.564 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.8 mt -131.52 -49.3 0.98 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.706 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . 91.26 6.84 66.09 Favored Glycine 0 CA--C 1.521 0.456 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.541 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -152.68 134.92 15.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.834 0.35 . . . . 0.0 110.559 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -98.31 148.0 24.09 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.657 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 14.9 p -63.94 -34.02 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.625 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 156.59 121.89 0.72 Allowed Glycine 0 CA--C 1.523 0.546 0 N-CA-C 110.933 -0.867 . . . . 0.0 110.933 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.609 ' ND1' ' N ' ' A' ' 139' ' ' ARG . 55.2 t-80 43.27 -110.4 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.764 0.316 . . . . 0.0 110.741 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.609 ' N ' ' ND1' ' A' ' 138' ' ' HIS . 56.6 ttp180 59.53 138.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.59 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -76.07 137.47 40.19 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.443 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 141' ' ' ILE . 95.9 mt -104.73 -3.69 9.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.507 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 145' ' ' ILE . 15.7 pt-20 -91.19 -9.56 44.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.495 179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -93.45 -20.69 20.06 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.477 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.5 HG22 ' O ' ' A' ' 141' ' ' ILE . 19.0 tt -66.98 -33.04 60.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.565 -179.784 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 142' ' ' GLU . 19.2 tt -62.02 -26.32 39.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.225 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 63.6 ttm-85 -61.03 -43.76 98.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.496 -179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -61.17 -49.06 78.72 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.95 0.405 . . . . 0.0 110.582 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.462 HG12 HG21 ' A' ' 156' ' ' VAL . 7.5 t -71.43 -44.92 71.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.666 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.437 ' OD1' ' OD1' ' A' ' 151' ' ' ASN . 33.5 t70 -90.19 71.12 7.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.699 -179.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 11.9 mt -84.35 22.7 1.2 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.794 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.544 HD22 ' CD ' ' A' ' 160' ' ' GLU . 11.4 p30 -108.36 -17.15 14.07 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.638 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 80.62 -2.51 78.41 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.894 -0.882 . . . . 0.0 110.894 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . . . . . . . . . 37.7 m-20 -73.5 -24.74 60.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.762 0.315 . . . . 0.0 110.583 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 85.39 13.09 71.53 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.706 -0.958 . . . . 0.0 110.706 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.511 ' NH1' ' OD1' ' A' ' 157' ' ' ASP . 39.2 ptt85 -145.34 160.96 40.74 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.711 0.291 . . . . 0.0 110.267 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . 0.462 HG21 HG12 ' A' ' 148' ' ' VAL . 85.4 t -124.55 129.2 73.84 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.386 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.511 ' OD1' ' NH1' ' A' ' 155' ' ' ARG . 89.1 m-20 -105.68 -169.36 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.405 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -67.39 -44.62 78.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.784 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . 0.474 ' CG ' ' N ' ' A' ' 160' ' ' GLU . 14.5 pt-20 -67.04 -43.71 82.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.835 -179.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.544 ' CD ' HD22 ' A' ' 151' ' ' ASN . 94.8 mt-10 -66.71 -30.58 70.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.414 179.419 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -61.16 -45.18 95.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.544 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 80.7 t -64.64 -43.0 96.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.616 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -38.04 48.82 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.538 -179.602 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.1 ttt -57.1 -44.13 82.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . 0.568 ' SD ' ' N ' ' A' ' 165' ' ' MET . 0.0 OUTLIER -64.15 -40.64 96.58 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.298 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 34.1 t -71.15 146.89 48.88 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.482 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 57.3 ttp180 . . . . . 0 C--O 1.219 -0.501 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.551 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 97.5 mmm . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.191 -0.67 . . . . 0.0 109.191 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.51 -43.76 98.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.43 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 159.77 -42.64 0.45 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 90.2 t -46.63 -40.0 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.736 0.303 . . . . 0.0 110.544 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -58.36 -50.65 72.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.605 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.98 -20.11 49.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.994 0.426 . . . . 0.0 110.345 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 10.0 mp -90.06 -42.26 11.22 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.549 179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -68.46 -23.68 64.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.291 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 64.9 t0 -71.75 -44.34 64.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.637 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.68 -40.85 97.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.263 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 66.2 t80 -60.97 -47.58 85.79 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.473 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 61.7 ttp180 -60.5 -42.97 97.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.387 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -61.31 -19.47 61.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.514 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -93.08 -30.98 15.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.658 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.53 ' OD2' ' N ' ' A' ' 117' ' ' GLY . 44.4 t0 -81.87 86.69 6.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.487 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 11.5 m -63.55 -41.6 98.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.446 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -64.06 -40.47 96.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.786 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 87.5 11.79 68.22 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.437 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 32.1 p-10 -79.7 -1.99 40.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.797 0.332 . . . . 0.0 110.513 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.53 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 86.18 10.54 74.46 Favored Glycine 0 CA--C 1.521 0.445 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -141.32 155.69 45.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.737 0.303 . . . . 0.0 110.335 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 18.8 mm -108.68 120.04 59.34 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.323 0 CA-C-O 120.964 0.411 . . . . 0.0 110.395 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.535 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 13.5 m -86.1 -171.34 3.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.325 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 1.8 p -75.5 -34.58 60.84 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.285 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.5 t -79.93 -25.23 40.57 Favored 'General case' 0 C--O 1.236 0.342 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.355 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.535 ' CD ' ' H ' ' A' ' 120' ' ' SER . 47.3 mt-10 -68.46 -27.17 65.93 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.777 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 66.2 mt -67.98 -38.89 83.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.858 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.711 ' HE ' ' NE2' ' A' ' 135' ' ' GLN . 79.1 ttt-85 -58.31 -43.47 88.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.448 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.29 -39.91 94.87 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.911 0.386 . . . . 0.0 110.427 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.33 -46.4 70.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.575 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 6.4 tpt -65.1 -40.57 94.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.389 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.552 ' O ' ' N ' ' A' ' 133' ' ' GLY . 62.6 ttp180 -62.86 -44.23 96.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.397 -179.471 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -71.27 -36.28 71.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.013 0.435 . . . . 0.0 110.614 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 57.3 tp -61.12 -46.02 92.28 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.991 -0.549 . . . . 0.0 110.655 -179.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 72.3 mt -96.15 -25.43 15.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.482 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . 88.92 -2.16 83.91 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.922 -0.871 . . . . 0.0 110.922 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -151.64 142.3 22.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.856 0.36 . . . . 0.0 110.643 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.711 ' NE2' ' HE ' ' A' ' 125' ' ' ARG . 62.0 tt0 -71.55 119.25 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.654 179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 78.4 t -64.45 -45.01 97.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.685 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 176.63 143.01 4.59 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 77.7 t60 -65.75 -40.56 92.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.821 0.344 . . . . 0.0 110.619 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 34.8 ptt-85 -57.7 -32.27 67.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.598 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.542 ' CG ' ' H ' ' A' ' 141' ' ' ILE . 29.4 t0 -74.8 -148.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.241 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.542 ' H ' ' CG ' ' A' ' 140' ' ' ASP . 59.5 mt 64.39 -63.41 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.201 0 O-C-N 123.58 0.55 . . . . 0.0 110.4 179.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 140' ' ' ASP . 12.7 pt-20 -53.92 -12.16 0.53 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.566 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . 0.402 ' N ' ' C ' ' A' ' 141' ' ' ILE . 83.6 tt0 -94.03 -29.31 15.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.191 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 63.0 mt -67.3 -42.85 88.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.718 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . . . . . . . . . 13.4 tt -52.47 -34.95 19.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.573 -179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -62.57 -42.4 99.53 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.763 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.445 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 64.2 t0 -64.54 -47.13 79.97 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.606 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 8.0 t -71.44 -44.9 71.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.746 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 67.3 t0 -80.08 72.31 6.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.668 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.445 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 37.6 mt -106.32 22.37 15.86 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.787 179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.531 ' ND2' ' OE1' ' A' ' 160' ' ' GLU . 50.5 p30 -119.71 -5.58 10.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.712 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 69.34 69.18 1.44 Allowed Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.916 -0.874 . . . . 0.0 110.916 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 48.7 p-10 -140.64 -29.49 0.68 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.672 0.273 . . . . 0.0 110.705 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.511 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 94.15 -7.4 72.69 Favored Glycine 0 CA--C 1.521 0.412 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.431 ' O ' ' OD2' ' A' ' 153' ' ' ASP . 84.6 mtt85 -141.55 -173.67 3.83 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-O 120.634 0.254 . . . . 0.0 110.475 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 8.9 t -126.54 114.97 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.357 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -86.79 179.03 6.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.302 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -64.56 -44.34 91.06 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.604 179.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -66.48 -44.14 83.5 Favored 'General case' 0 N--CA 1.452 -0.375 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.903 -179.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.531 ' OE1' ' ND2' ' A' ' 151' ' ' ASN . 81.6 tt0 -63.9 -39.39 94.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.327 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 84.7 t80 -57.93 -46.62 84.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.445 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 69.7 t -62.14 -47.84 91.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.193 0 CA-C-O 120.88 0.372 . . . . 0.0 110.652 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 59.7 ttm-85 -56.21 -42.23 76.89 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.007 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 18.1 tpt -63.37 -37.82 88.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.407 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 36.1 ttm -64.17 -18.69 64.72 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.532 -179.339 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 30.7 t -61.66 -42.72 99.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.56 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 37.3 mmt180 . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.583 -179.831 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 97.4 mmm . . . . . 0 N--CA 1.49 1.562 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 39.7 mm -63.3 -44.29 99.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 94.54 -31.51 6.74 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.896 -0.882 . . . . 0.0 110.896 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 89.8 t -69.4 -22.55 25.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.766 0.317 . . . . 0.0 110.46 179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 65.4 tttm -60.81 -56.77 17.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.748 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -55.2 -15.11 2.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.508 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 9.2 mp -94.06 -51.08 5.01 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.561 179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 62.3 ttp180 -61.31 -42.34 98.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.325 -179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -64.88 -40.83 95.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.635 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.53 96.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.441 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -54.3 -45.67 72.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.376 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 -59.32 -40.85 87.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.374 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -64.89 -22.41 66.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.64 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -90.45 -39.31 12.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.54 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 41.5 t0 -77.59 84.13 3.96 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.928 0.394 . . . . 0.0 110.308 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 9.9 m -65.08 -38.72 91.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.654 179.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -67.99 -41.11 82.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.844 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 89.92 3.84 73.04 Favored Glycine 0 CA--C 1.526 0.742 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -63.81 -42.13 97.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 0.0 110.558 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 129.96 7.91 3.56 Favored Glycine 0 N--CA 1.465 0.585 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 -179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 22.5 pt-20 -149.97 159.61 44.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.852 0.358 . . . . 0.0 110.369 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.4 mm -110.65 115.32 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.498 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.7 p -85.53 176.8 8.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.594 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.44 HG22 HD13 ' A' ' 145' ' ' ILE . 20.8 p -63.37 -44.4 94.88 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.389 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 81.9 p -78.39 -18.6 54.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.334 179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 68.5 tt0 -73.86 -15.64 61.15 Favored 'General case' 0 N--CA 1.456 -0.136 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.352 -179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 51.1 mt -75.83 -25.66 56.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.578 179.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -58.56 -42.53 88.16 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.488 -179.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -64.77 -41.71 95.67 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.392 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.4 -46.39 70.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.454 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 94.9 mmm -63.48 -39.79 95.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.423 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.527 ' O ' ' N ' ' A' ' 133' ' ' GLY . 44.0 ttm180 -61.45 -44.79 96.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.474 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -67.57 -34.79 77.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.524 179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 59.9 tp -61.26 -43.99 97.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.643 -179.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 56.8 tp -132.4 -47.44 0.9 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.692 -179.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 129' ' ' ARG . . . 52.33 98.64 0.01 OUTLIER Glycine 0 CA--C 1.522 0.47 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 -179.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.536 ' O ' ' N ' ' A' ' 136' ' ' VAL . 28.6 p-80 -145.92 81.27 1.6 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.655 0.264 . . . . 0.0 110.693 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 53.89 -82.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.674 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.536 ' N ' ' O ' ' A' ' 134' ' ' HIS . 27.1 m -125.06 158.98 32.54 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.316 0 CA-C-O 121.14 0.495 . . . . 0.0 110.457 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -94.13 112.88 4.42 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.844 -0.902 . . . . 0.0 110.844 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 23.0 t-80 -66.34 -40.79 90.06 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.731 0.3 . . . . 0.0 110.568 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -79.35 143.5 35.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 -179.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -66.76 133.65 50.58 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.599 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.422 HG22 ' O ' ' A' ' 141' ' ' ILE . 76.7 mt -83.72 -14.24 11.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.497 -179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -90.05 -11.25 42.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.418 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.1 mm-40 -95.81 -33.1 12.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.702 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . 0.429 HG23 ' N ' ' A' ' 145' ' ' ILE . 20.0 tt -66.04 -37.79 80.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.655 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.44 HD13 HG22 ' A' ' 121' ' ' THR . 14.6 tt -55.9 -28.46 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.409 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -59.13 -44.98 92.06 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.437 -179.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -68.36 -42.6 78.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.438 179.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.488 HG22 ' SD ' ' A' ' 164' ' ' MET . 89.1 t -67.99 -45.87 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.516 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.532 ' OD2' ' N ' ' A' ' 154' ' ' GLY . 40.3 t0 -91.13 82.16 5.55 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.538 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 30.5 mt -102.78 24.13 11.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.745 179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -114.12 -8.15 13.01 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.522 179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . 0.437 ' O ' ' OD1' ' A' ' 153' ' ' ASP . . . 68.21 63.57 3.54 Favored Glycine 0 CA--C 1.521 0.462 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 152' ' ' GLY . 78.9 m-20 -136.36 -21.62 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.758 0.314 . . . . 0.0 110.601 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.532 ' N ' ' OD2' ' A' ' 149' ' ' ASP . . . 84.65 11.85 76.4 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.856 -0.898 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 34.6 ptt-85 -151.33 -178.27 6.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 0.0 110.396 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 t -134.18 107.17 9.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.548 179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -90.49 -171.39 3.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.58 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -63.39 -46.09 88.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.696 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 77.4 tt0 -69.38 -42.75 74.75 Favored 'General case' 0 N--CA 1.453 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.829 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.433 ' OE2' ' OD2' ' A' ' 153' ' ' ASP . 93.4 mt-10 -65.0 -32.54 74.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.493 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 85.4 t80 -61.23 -42.12 98.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.523 179.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 96.4 t -59.24 -45.2 93.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.561 -179.293 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 82.9 mtp180 -53.11 -38.52 62.69 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.251 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.488 ' SD ' HG22 ' A' ' 148' ' ' VAL . 52.7 ttp -62.36 -40.18 95.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.54 179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . 0.434 ' C ' ' SD ' ' A' ' 165' ' ' MET . 1.2 tmt? -62.61 -37.49 86.47 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.486 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 66.7 m -59.86 -44.13 94.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.619 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 32.5 mmt180 . . . . . 0 C--O 1.218 -0.601 0 CA-C-O 117.974 -1.013 . . . . 0.0 110.591 179.879 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . 0.494 ' N ' ' SD ' ' A' ' 98' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.492 1.632 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 39.5 pt -129.76 162.8 36.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.714 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . 84.83 -87.15 1.55 Allowed Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 15.5 m -60.31 -40.24 83.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.593 0.235 . . . . 0.0 110.494 -179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -62.46 -52.88 61.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.538 -179.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -61.97 -15.19 41.8 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.059 0.457 . . . . 0.0 110.524 179.506 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 52.4 mt -93.4 -43.97 8.5 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.663 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -63.02 -38.99 93.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.386 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.21 -43.27 99.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.31 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -65.24 -37.23 86.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.324 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.524 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 69.6 t80 -60.19 -45.14 94.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.489 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 23.4 mmt85 -59.63 -32.1 70.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.697 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -56.89 -52.7 64.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 -179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . 0.488 ' O ' ' N ' ' A' ' 113' ' ' THR . 84.4 m-85 -61.96 -44.68 96.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.524 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 13.0 m-20 -63.28 72.08 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.752 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . 0.488 ' N ' ' O ' ' A' ' 111' ' ' PHE . 13.2 m -65.22 -37.12 86.29 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.529 179.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 37.4 p30 -80.33 -30.64 38.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.693 -179.695 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 85.93 21.7 51.96 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.118 -0.793 . . . . 0.0 111.118 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.467 ' CG ' HD21 ' A' ' 114' ' ' ASN . 37.3 p-10 -72.03 -6.74 44.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.906 0.384 . . . . 0.0 110.528 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 83.55 4.47 89.15 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 110.905 -0.878 . . . . 0.0 110.905 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.402 ' O ' ' OD1' ' A' ' 116' ' ' ASP . 13.5 pt-20 -150.62 160.73 43.61 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.081 0.467 . . . . 0.0 110.523 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 16.9 mm -104.42 115.52 46.49 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.189 0 CA-C-O 121.296 0.569 . . . . 0.0 110.377 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 4.8 p -93.98 -175.88 3.84 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.554 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 40.1 p -68.76 -37.81 79.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.421 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.437 ' O ' ' OE1' ' A' ' 126' ' ' GLU . 32.1 t -78.92 -20.6 48.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.265 179.739 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.455 ' OE2' ' N ' ' A' ' 113' ' ' THR . 37.5 tp10 -69.7 -25.34 63.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.355 -179.849 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 88.1 mt -74.85 -25.42 58.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.516 -179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -60.43 -43.78 96.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.562 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 122' ' ' SER . 57.4 mp0 -66.47 -37.32 84.87 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.65 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.22 -38.65 78.64 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.814 179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -36.04 6.37 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.344 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.58 ' O ' HD21 ' A' ' 132' ' ' LEU . 96.1 mtt-85 -63.23 -37.44 87.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.582 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -83.79 -39.48 19.95 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.068 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.481 ' C ' ' N ' ' A' ' 133' ' ' GLY . 47.2 tp -62.02 -43.17 99.41 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.519 -179.731 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.58 HD21 ' O ' ' A' ' 129' ' ' ARG . 75.8 mt 46.23 15.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.38 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.481 ' N ' ' C ' ' A' ' 131' ' ' LEU . . . -64.0 -36.48 93.32 Favored Glycine 0 CA--C 1.519 0.312 0 N-CA-C 110.878 -0.889 . . . . 0.0 110.878 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . 0.44 ' O ' ' O ' ' A' ' 135' ' ' GLN . 78.4 m80 -135.25 168.03 19.92 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.892 0.377 . . . . 0.0 110.574 -179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.44 ' O ' ' O ' ' A' ' 134' ' ' HIS . 76.5 mt-30 -42.0 -95.55 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.721 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 33.6 m -149.52 21.91 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.605 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 96.78 105.94 2.31 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -61.26 -44.49 97.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.908 0.385 . . . . 0.0 110.512 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 84.8 mtp180 -93.92 -88.76 0.23 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.564 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.47 ' C ' ' H ' ' A' ' 142' ' ' GLU . 33.6 p-10 -158.0 42.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.729 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.719 HG22 ' O ' ' A' ' 141' ' ' ILE . 89.1 mt 51.81 10.24 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.277 0.561 . . . . 0.0 110.721 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.47 ' H ' ' C ' ' A' ' 140' ' ' ASP . 73.8 tt0 -82.39 -11.87 58.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.511 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -90.41 -32.11 16.56 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.616 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.3 mt -64.27 -43.6 97.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.621 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 146' ' ' ARG . 20.4 tt -61.08 -37.69 77.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.411 -179.425 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.462 ' O ' ' O ' ' A' ' 149' ' ' ASP . 44.9 ttm180 -60.21 -30.54 69.45 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.224 179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -72.31 -62.84 1.29 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.428 -179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 75.7 t -63.12 -47.73 91.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.353 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 146' ' ' ARG . 46.6 t0 -95.7 166.91 11.59 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.083 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 1.2 mt 166.63 30.52 0.0 OUTLIER 'General case' 0 C--O 1.238 0.456 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.676 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . . . . . . . . . 11.1 m120 -95.69 -2.53 47.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.832 0.349 . . . . 0.0 110.712 -179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 69.88 63.77 3.19 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.53 ' OD1' ' N ' ' A' ' 154' ' ' GLY . 50.0 p-10 -163.54 -28.1 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.965 0.412 . . . . 0.0 110.694 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.53 ' N ' ' OD1' ' A' ' 153' ' ' ASP . . . 83.4 15.64 70.93 Favored Glycine 0 CA--C 1.519 0.286 0 N-CA-C 110.71 -0.956 . . . . 0.0 110.71 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 60.5 ttp180 -123.67 137.64 54.68 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 120.897 0.38 . . . . 0.0 110.569 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 71.5 t -123.5 103.97 13.62 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.096 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.475 179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . 0.548 ' CG ' ' H ' ' A' ' 158' ' ' PHE . 24.3 t0 -88.63 -157.13 0.41 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.453 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.548 ' H ' ' CG ' ' A' ' 157' ' ' ASP . 67.6 t80 -76.09 -31.12 58.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.698 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -67.68 -56.96 7.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.661 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -60.32 -31.8 70.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.515 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 83.3 t80 -63.93 -46.53 84.36 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.75 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 158' ' ' PHE . 74.1 t -65.63 -41.27 90.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.582 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 30.6 mmt180 -49.07 -27.43 3.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.594 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 27.7 ttt -61.63 -44.49 96.88 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.495 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -63.45 -41.92 98.63 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.176 -179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 77.7 p -62.81 -39.63 94.88 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.987 0.422 . . . . 0.0 110.449 -179.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 85.4 mtp180 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.977 -1.011 . . . . 0.0 110.508 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 66.7 mtt . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.0 pt -139.7 -1.28 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.702 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . . . . . . . . . . . -82.83 -168.15 42.24 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.917 -0.873 . . . . 0.0 110.917 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 63.6 t -53.32 -19.36 2.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.674 0.273 . . . . 0.0 110.434 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -61.73 -71.24 0.15 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.996 -179.524 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -49.95 -28.64 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.375 -179.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 63.0 mt -79.69 -44.38 20.94 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.76 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -63.99 -36.57 84.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.88 179.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -66.4 -43.69 85.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.008 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.88 -37.77 88.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.559 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -60.29 -44.48 95.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.32 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 16.6 tpp180 -58.17 -42.12 85.32 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.414 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -44.79 -61.18 1.68 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.577 -179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -61.73 -46.7 88.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.635 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -82.2 60.27 4.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.455 179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 19.0 m -61.39 -43.56 98.65 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.319 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.536 ' OD1' ' N ' ' A' ' 115' ' ' GLY . 32.9 p30 -59.77 -30.29 68.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.594 -179.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.536 ' N ' ' OD1' ' A' ' 114' ' ' ASN . . . 88.12 21.97 43.53 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.517 ' OD2' ' ND2' ' A' ' 114' ' ' ASN . 98.9 m-20 -67.48 -15.81 63.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.886 0.374 . . . . 0.0 110.538 179.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 86.36 -3.02 87.48 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.103 -0.799 . . . . 0.0 111.103 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -148.88 159.08 44.51 Favored 'General case' 0 C--O 1.233 0.194 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 54.8 mt -108.81 121.83 62.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 CA-C-O 120.919 0.39 . . . . 0.0 110.041 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.532 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 4.9 t -96.67 -170.45 2.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.426 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.9 p -70.61 -41.69 71.95 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.361 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -74.98 -23.4 58.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.361 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 120' ' ' SER . 49.8 mt-10 -70.48 -26.69 63.73 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.999 0.428 . . . . 0.0 110.867 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.26 -34.65 73.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.872 179.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -60.57 -42.35 96.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.627 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -60.84 -43.44 98.3 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.38 -179.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -72.62 -38.1 67.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.766 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 8.9 ttt -53.05 -43.08 66.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.323 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 62.4 ttp180 -59.39 -48.5 81.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.534 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -65.37 -42.34 92.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.565 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 59.7 tp -62.12 -47.52 84.22 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.09 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 132' ' ' LEU . 0.2 OUTLIER -68.14 -43.5 78.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.02 0.438 . . . . 0.0 110.748 -179.688 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . 134.37 -129.95 5.39 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.484 -1.046 . . . . 0.0 110.484 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -86.71 -11.68 50.49 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.729 0.3 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 99.2 mm-40 -89.48 163.91 15.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.449 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.3 t -121.63 131.39 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.267 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.508 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -70.64 143.43 36.86 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.883 -0.887 . . . . 0.0 110.883 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -102.78 1.33 34.09 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-O 120.848 0.356 . . . . 0.0 110.61 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -69.79 159.9 32.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.614 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.577 ' C ' ' H ' ' A' ' 142' ' ' GLU . 33.8 p30 -67.62 -16.05 63.97 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.604 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.508 HG22 ' O ' ' A' ' 141' ' ' ILE . 77.0 mt 60.17 -6.18 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.859 -179.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . 0.577 ' H ' ' C ' ' A' ' 140' ' ' ASP . 95.8 mt-10 -73.65 -9.7 58.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.603 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -91.72 -33.2 15.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.573 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.92 -43.41 97.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.498 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 146' ' ' ARG . 20.7 tt -61.83 -36.73 75.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.45 -179.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.411 ' N ' HG23 ' A' ' 145' ' ' ILE . 77.4 ttt180 -60.41 -42.4 95.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.549 -179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -61.55 -24.58 66.74 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.428 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . . . . . . . . . 87.3 t -91.6 -48.24 13.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.655 179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.481 ' C ' ' H ' ' A' ' 151' ' ' ASN . 98.1 m-20 -76.94 49.52 0.66 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.75 -179.649 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 81.5 mt -76.04 23.92 0.13 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.649 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.568 HD21 ' CD ' ' A' ' 160' ' ' GLU . 18.0 p30 -129.29 0.87 5.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.823 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 71.94 70.96 1.12 Allowed Glycine 0 CA--C 1.523 0.551 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.446 ' OD2' ' OE2' ' A' ' 160' ' ' GLU . 98.3 m-20 -136.12 -44.76 0.64 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.86 0.362 . . . . 0.0 110.917 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . . . . . . . . . . . 91.96 1.35 70.35 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . 0.425 ' O ' ' OD1' ' A' ' 149' ' ' ASP . 88.9 mtm180 -143.37 166.69 24.07 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.809 0.338 . . . . 0.0 110.49 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.4 t -121.64 118.79 56.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.301 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.434 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -100.1 -168.82 1.64 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.253 179.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -64.52 -44.72 89.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.725 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 24.8 tp10 -66.86 -47.95 70.32 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.022 -0.536 . . . . 0.0 111.045 -179.008 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.568 ' CD ' HD21 ' A' ' 151' ' ' ASN . 89.8 mt-10 -64.25 -34.57 78.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.417 179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 91.9 t80 -61.14 -43.35 99.02 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.62 179.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 62.8 t -60.28 -44.89 96.64 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.652 -179.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . 0.428 HH21 ' CG ' ' A' ' 160' ' ' GLU . 90.9 mtm-85 -60.94 -38.54 86.2 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.56 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 28.3 ttt -60.1 -47.37 86.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.808 0.337 . . . . 0.0 110.47 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 97.6 mmm -68.65 -37.36 79.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 49.1 m -59.23 -42.69 91.62 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.494 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 23.1 mmm180 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.303 -179.768 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 77.6 mtm . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.165 -0.68 . . . . 0.0 109.165 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 38.8 mm -114.44 127.66 71.82 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.35 0 CA-C-O 120.885 0.374 . . . . 0.0 110.448 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.472 ' H ' ' HG2' ' A' ' 103' ' ' GLU . . . 128.06 -100.88 0.54 Allowed Glycine 0 N--CA 1.466 0.671 0 N-CA-C 110.805 -0.918 . . . . 0.0 110.805 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.42 HG22 ' H ' ' A' ' 101' ' ' VAL . 4.3 m -62.42 -33.78 61.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.871 0.367 . . . . 0.0 110.503 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 28.4 mmtp -59.23 -67.58 0.36 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.76 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.472 ' HG2' ' H ' ' A' ' 100' ' ' GLY . 16.3 pt-20 -52.32 -14.88 0.51 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 47.0 mt -90.47 -46.2 8.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.679 179.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.533 ' NH1' ' CG ' ' A' ' 158' ' ' PHE . 15.5 tpt180 -62.1 -38.75 90.06 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.419 179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' A' ' 106' ' ' ASP . 64.1 t0 -62.67 -39.06 92.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.31 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -64.71 -35.9 82.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.285 179.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -60.85 -49.97 75.31 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.438 -179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -67.13 -37.29 83.57 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.408 179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 81.5 tt0 -63.7 -12.58 35.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.159 0.504 . . . . 0.0 110.317 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -105.54 -8.29 18.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.769 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.434 ' OD2' ' N ' ' A' ' 116' ' ' ASP . 39.4 t0 -88.08 96.45 10.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.897 0.38 . . . . 0.0 110.244 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 10.1 m -63.65 -41.1 98.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.71 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 116' ' ' ASP . 28.6 p30 -83.74 -14.6 51.18 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.663 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 58.95 38.05 92.13 Favored Glycine 0 CA--C 1.521 0.459 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.482 ' N ' ' OD1' ' A' ' 114' ' ' ASN . 49.1 p-10 -99.31 5.5 46.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.69 0.281 . . . . 0.0 110.315 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.417 ' N ' ' OD2' ' A' ' 112' ' ' ASP . . . 82.19 11.59 82.09 Favored Glycine 0 CA--C 1.522 0.473 0 N-CA-C 110.716 -0.954 . . . . 0.0 110.716 -179.821 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.629 ' O ' 'CA ' ' A' ' 302' ' ' ' CA' . 79.5 mt-10 -140.49 154.64 46.66 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.873 0.368 . . . . 0.0 110.286 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 12.2 mt -118.64 117.0 53.03 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.229 0 CA-C-O 121.023 0.439 . . . . 0.0 110.317 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.522 ' H ' ' CD ' ' A' ' 123' ' ' GLU . 4.8 p -95.68 -171.79 2.45 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.586 179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . . . . . . . . . 23.0 p -69.25 -40.82 77.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.397 179.724 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.8 p -74.65 -17.01 60.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.443 179.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.522 ' CD ' ' H ' ' A' ' 120' ' ' SER . 50.6 mt-10 -80.82 -14.07 58.38 Favored 'General case' 0 N--CA 1.462 0.131 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.497 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 89.4 mt -91.87 -21.3 20.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.663 179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . . . . . . . . . 62.1 ttp180 -63.93 -42.21 97.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.538 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -67.11 -40.25 86.82 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.614 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -69.79 -40.01 76.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.856 179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 28.3 ttt -54.86 -39.01 68.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.232 -179.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . . . . . . . . . 83.0 mtp180 -62.92 -45.37 92.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.503 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 68.5 mmtt -67.72 -46.9 70.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.996 0.427 . . . . 0.0 110.609 179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' A' ' 133' ' ' GLY . 53.7 tp -64.95 -41.96 95.04 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.724 179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 3.7 tp 61.91 3.3 0.9 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.806 -179.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . 0.431 ' H ' ' HG ' ' A' ' 131' ' ' LEU . . . -83.89 167.11 43.63 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.753 -0.939 . . . . 0.0 110.753 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 99.7 m-70 41.39 80.55 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.774 0.321 . . . . 0.0 110.866 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 54.6 tt0 -82.85 63.96 7.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.062 0.458 . . . . 0.0 110.357 -179.599 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 6.0 p -146.55 146.67 18.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.451 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 79.0 20.52 70.13 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.781 -0.928 . . . . 0.0 110.781 179.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -68.52 -2.78 9.55 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.658 0.266 . . . . 0.0 110.564 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . 0.414 ' O ' ' OD1' ' A' ' 140' ' ' ASP . 94.9 mtt-85 -62.75 -45.45 92.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.563 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . 0.414 ' OD1' ' O ' ' A' ' 139' ' ' ARG . 62.2 m-20 -162.12 16.46 0.09 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.651 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 7.3 mm 54.73 31.06 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.427 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 78.3 tt0 -88.71 -17.33 30.15 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.387 -179.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 80.7 tt0 -90.4 -39.85 12.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.384 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 95.6 mt -63.97 -43.38 97.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.698 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.465 HG23 ' N ' ' A' ' 146' ' ' ARG . 6.2 tp -57.56 -39.14 67.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.607 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . 0.465 ' N ' HG23 ' A' ' 145' ' ' ILE . 82.8 mtp180 -61.91 -44.85 95.94 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.621 -179.49 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -66.93 -44.82 79.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.728 179.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.439 ' O ' ' SD ' ' A' ' 164' ' ' MET . 59.5 t -73.23 -51.34 26.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.704 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.483 ' OD2' ' CA ' ' A' ' 154' ' ' GLY . 44.3 t0 -85.26 69.5 10.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.858 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . . . . . . . . . 12.9 mt -82.35 10.23 7.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.925 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.451 ' OD1' ' OD1' ' A' ' 153' ' ' ASP . 3.4 t-20 -84.82 -29.31 25.46 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.676 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 88.95 2.59 77.89 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 153' ' ' ASP . 0.6 OUTLIER -81.05 -18.24 47.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 0.0 110.525 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.483 ' CA ' ' OD2' ' A' ' 149' ' ' ASP . . . 85.93 3.54 85.42 Favored Glycine 0 CA--C 1.523 0.531 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 -179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 95.4 mtt-85 -141.6 173.19 11.73 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 120.943 0.401 . . . . 0.0 110.42 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 2.6 t -134.12 115.43 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.208 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.584 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 53.2 p-10 -94.1 -167.71 1.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.39 179.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . 0.533 ' CG ' ' NH1' ' A' ' 105' ' ' ARG . 53.6 t80 -64.75 -42.96 94.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.649 179.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 81.7 tt0 -63.23 -54.37 38.42 Favored 'General case' 0 N--CA 1.454 -0.237 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.72 -179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . 0.436 ' OE2' ' OD1' ' A' ' 151' ' ' ASN . 90.4 mt-10 -61.98 -33.82 75.0 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.456 179.422 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -60.68 -47.22 87.25 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.59 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.5 -46.03 87.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.586 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 44.8 ttm180 -57.32 -44.76 84.48 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.516 -179.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . 0.439 ' SD ' ' O ' ' A' ' 148' ' ' VAL . 31.4 mmt -67.07 -36.31 81.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.736 179.641 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . 0.495 ' O ' ' SD ' ' A' ' 165' ' ' MET . 2.9 tmm? -60.65 -40.62 92.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.448 -179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 17.5 m -45.53 -42.35 10.75 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.434 -179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 . . . . . 0 C--O 1.22 -0.475 0 CA-C-O 118.023 -0.989 . . . . 0.0 110.534 179.71 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . 0.629 'CA ' ' O ' ' A' ' 118' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 77.5 mtm . . . . . 0 N--CA 1.489 1.509 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.496 HG23 ' N ' ' A' ' 100' ' ' GLY . 21.2 tt -67.66 -40.87 84.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.674 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLY . . . . . 0.496 ' N ' HG23 ' A' ' 99' ' ' ILE . . . 173.23 -26.77 0.09 OUTLIER Glycine 0 CA--C 1.523 0.569 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 57.6 t -59.34 -18.7 14.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.934 0.397 . . . . 0.0 110.415 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -63.29 -51.03 67.76 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.476 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -59.51 -14.5 13.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.996 0.427 . . . . 0.0 110.604 179.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.467 ' N ' HD12 ' A' ' 104' ' ' LEU . 10.6 mp -92.39 -44.23 8.81 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.276 -179.826 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ARG . . . . . 0.632 ' NH2' ' NH2' ' A' ' 109' ' ' ARG . 59.0 ttt85 -60.97 -38.0 84.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.144 -0.48 . . . . 0.0 109.789 -179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASP . . . . . . . . . . . . . 63.2 t0 -62.72 -44.22 96.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.403 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -63.66 -38.18 90.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.362 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . 0.478 ' CE2' ' OD2' ' A' ' 112' ' ' ASP . 81.1 t80 -61.03 -44.59 97.18 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.448 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ARG . . . . . 0.632 ' NH2' ' NH2' ' A' ' 105' ' ' ARG . 77.7 mmt-85 -58.6 -33.04 69.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.61 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -55.34 -51.42 66.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.732 -179.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -62.03 -47.01 86.63 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.885 179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.478 ' OD2' ' CE2' ' A' ' 108' ' ' PHE . 78.7 m-20 -77.95 69.0 4.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.621 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' THR . . . . . . . . . . . . . 16.0 m -62.13 -42.58 99.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.442 179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASN . . . . . 0.776 HD22 ' H ' ' A' ' 115' ' ' GLY . 0.0 OUTLIER -63.01 -30.61 71.73 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.448 -179.842 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . 0.776 ' H ' HD22 ' A' ' 114' ' ' ASN . . . 87.23 18.98 56.54 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.863 -0.895 . . . . 0.0 110.863 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 116' ' ' ASP . 31.9 p-10 -65.62 -18.7 65.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.906 0.384 . . . . 0.0 110.489 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 93.12 -4.48 74.46 Favored Glycine 0 CA--C 1.52 0.366 0 N-CA-C 110.896 -0.881 . . . . 0.0 110.896 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' GLU . . . . . 0.406 ' O ' ' OD2' ' A' ' 116' ' ' ASP . 11.6 pt-20 -143.65 158.23 43.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.884 0.374 . . . . 0.0 110.585 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 65.6 mt -107.19 113.48 43.63 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-O 121.106 0.479 . . . . 0.0 110.007 -179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 68.2 m -94.35 -171.2 2.45 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.65 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' THR . . . . . 0.446 HG22 ' CD1' ' A' ' 145' ' ' ILE . 1.1 p -70.66 -41.71 71.73 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.47 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.408 ' HB2' HH21 ' A' ' 125' ' ' ARG . 62.1 p -74.17 -23.77 59.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.658 179.563 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 40.2 tp10 -68.83 -23.86 64.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.618 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 84.7 mt -67.82 -35.93 79.5 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.786 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.408 HH21 ' HB2' ' A' ' 122' ' ' SER . 83.7 mtm180 -57.17 -42.42 81.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.419 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -67.93 -38.17 82.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -68.23 -43.73 77.28 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.368 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' MET . . . . . . . . . . . . . 29.2 ttm -49.5 -43.44 45.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.254 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ARG . . . . . 0.601 ' O ' HD22 ' A' ' 132' ' ' LEU . 83.5 mtp180 -62.79 -44.99 94.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.505 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 44.0 mmtm -64.7 -39.99 94.59 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.495 179.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LEU . . . . . . . . . . . . . 4.6 tp -57.92 -19.49 30.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.511 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.601 HD22 ' O ' ' A' ' 129' ' ' ARG . 1.3 mm? 55.21 15.4 1.28 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.453 -179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -68.57 -38.66 86.57 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -147.35 121.41 9.44 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.835 0.35 . . . . 0.0 110.607 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 88.3 mt-30 -65.38 -39.78 92.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.739 179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 16.4 m -86.85 47.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.64 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -63.53 90.74 0.08 OUTLIER Glycine 0 CA--C 1.523 0.543 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.45 ' O ' ' CD2' ' A' ' 138' ' ' HIS . 72.4 t60 -155.21 10.87 0.33 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.739 0.304 . . . . 0.0 110.545 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ARG . . . . . . . . . . . . . 85.0 mtp180 -74.72 -163.21 0.2 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.567 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -79.24 90.91 4.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.006 0.432 . . . . 0.0 110.38 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 16.1 mm -68.65 -24.48 29.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.533 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -54.63 -11.45 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.386 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLU . . . . . . . . . . . . . 84.9 tt0 -86.97 -38.72 16.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.71 179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.49 -43.47 94.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 121' ' ' THR . 15.4 tt -61.02 -35.19 63.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.48 -179.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ARG . . . . . . . . . . . . . 58.6 ttm-85 -65.44 -41.04 93.91 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.587 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.442 ' O ' ' CD1' ' A' ' 150' ' ' LEU . 57.4 t0 -63.09 -35.22 79.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.666 -179.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' VAL . . . . . 0.414 ' C ' ' H ' ' A' ' 150' ' ' LEU . 35.5 t -91.15 -45.05 14.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.68 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.462 ' C ' ' H ' ' A' ' 151' ' ' ASN . 28.2 t70 -71.7 44.66 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 147' ' ' ASP . 68.4 mt -76.42 23.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.029 0.442 . . . . 0.0 110.334 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ASN . . . . . 0.462 ' H ' ' C ' ' A' ' 149' ' ' ASP . 15.7 m120 -106.31 -3.4 21.22 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.694 -179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . 62.18 61.79 6.3 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.851 -0.9 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' ASP . . . . . 0.507 ' OD1' ' N ' ' A' ' 153' ' ' ASP . 18.7 p-10 -150.41 -28.38 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 0.0 110.664 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' GLY . . . . . 0.414 ' H ' ' CG ' ' A' ' 149' ' ' ASP . . . 87.03 11.96 69.04 Favored Glycine 0 CA--C 1.52 0.401 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ARG . . . . . . . . . . . . . 61.8 ttp180 -135.95 150.6 49.34 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.0 0.428 . . . . 0.0 110.391 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' VAL . . . . . . . . . . . . . 74.5 t -126.25 106.43 15.83 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.091 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.57 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -89.15 -168.85 2.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.496 179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -67.43 -36.85 82.03 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.658 179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -63.72 -52.0 62.45 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.939 -179.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -64.16 -32.19 73.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.353 179.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -61.59 -47.7 84.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.409 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' VAL . . . . . . . . . . . . . 68.9 t -67.24 -43.74 88.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.559 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -56.16 -43.26 78.16 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.216 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' MET . . . . . . . . . . . . . 14.8 tpt -58.07 -47.04 84.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.229 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' MET . . . . . . . . . . . . . 51.1 ttp -65.0 -38.59 91.46 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.245 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 166' ' ' SER . . . . . . . . . . . . . 34.7 t -63.17 -43.23 98.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.527 -179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 167' ' ' ARG . . . . . . . . . . . . . 73.2 ttp85 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 117.997 -1.001 . . . . 0.0 110.658 179.965 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 302' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 303' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_