data_1sbj_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 1sbj _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 ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.843 0.354 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -44.51 -29.49 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.432 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -56.15 -30.42 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.36 -14.5 62.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.1 p -59.92 -34.21 72.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.813 0.34 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -69.52 -30.29 68.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -80.55 -30.82 37.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.426 ' CE2' ' HB2' ' A' ' 150' ' ' TYR . 15.7 t80 -65.72 -43.24 89.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.06 -34.0 75.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.805 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.5 mmm -58.52 -36.51 73.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.01 -23.13 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.054 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.38 145.82 24.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.721 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.66 -38.02 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -97.2 3.33 51.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.416 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.92 67.64 0.87 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.818 0.342 . . . . 0.0 111.496 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -116.47 -8.11 11.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.343 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.99 -16.99 59.16 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.614 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.78 140.13 52.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.659 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.406 HD12 ' CE2' ' A' ' 153' ' ' PHE . 18.3 mt -108.56 135.17 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.18 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -108.09 -179.71 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.71 -32.72 74.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -73.33 -40.05 64.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.38 -60.48 2.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.93 -27.62 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -38.99 86.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.044 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.8 mt -61.28 -45.87 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -63.14 -29.3 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.27 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 18.9 mt -77.89 -49.02 15.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.253 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -58.61 -42.43 88.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.085 0.469 . . . . 0.0 110.615 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.74 30.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.711 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 20.9 p -59.63 172.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.46 -11.42 82.02 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.864 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.42 -178.29 3.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.05 123.92 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.404 HD11 HG23 ' A' ' 128' ' ' ILE . 26.9 mm -114.26 139.89 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.25 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.1 m -86.58 170.06 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.693 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -64.81 -38.39 90.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.52 -45.36 91.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.91 -40.39 95.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 13.1 mt -64.28 -40.46 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.84 -33.0 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.57 -29.92 68.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.04 -36.25 69.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.3 mmt -63.53 -56.06 19.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -63.15 -23.99 67.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 3.6 m-20 -80.86 -15.25 56.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.451 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.452 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -122.53 -4.88 8.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.861 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -101.86 93.23 5.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -30.37 27.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -86.68 -3.65 59.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.285 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 45.96 42.01 8.77 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.777 0.322 . . . . 0.0 111.596 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -86.26 -34.37 20.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.982 0.42 . . . . 0.0 110.566 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 130.06 -4.89 6.05 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.743 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -149.68 160.8 43.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.461 HG23 ' CD2' ' A' ' 153' ' ' PHE . 28.2 mt -108.62 128.75 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.184 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.5 p30 -102.86 167.55 9.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.448 ' CZ ' HD12 ' A' ' 154' ' ' LEU . 88.8 t80 -56.45 -28.25 59.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.76 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.25 -60.23 2.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.754 0.311 . . . . 0.0 111.233 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.402 ' HG3' HG21 ' A' ' 148' ' ' ILE . 14.5 pt-20 -71.33 -27.47 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.855 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.3 OUTLIER -72.55 -35.48 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.719 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.448 HD12 ' CZ ' ' A' ' 150' ' ' TYR . 1.6 tp -52.24 -41.19 62.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.799 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.42 -27.41 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.734 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.452 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.07 -50.07 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.7 mmt -80.95 0.25 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.59 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 25.7 mttt . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.079 0.466 . . . . 0.0 110.024 179.335 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.232 0.539 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -56.54 -23.73 42.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.8 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -73.22 -25.81 60.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.995 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.9 mt -53.28 -24.16 10.83 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.384 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.5 t -68.63 -32.75 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.724 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -44.32 67.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -27.95 61.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 69.6 t80 -56.62 -42.12 78.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.994 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.8 mmt-85 -60.15 -36.04 76.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 41.6 mmm -54.93 -35.23 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -73.92 -20.91 60.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.41 136.98 32.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -107.69 -50.14 3.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -89.54 6.42 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.518 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.96 70.15 0.43 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.822 0.344 . . . . 0.0 111.386 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -116.98 -3.18 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.509 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.4 -5.9 67.95 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.637 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 29.2 m-85 -143.95 163.28 33.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.755 0.312 . . . . 0.0 110.786 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.438 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 1.9 mp -117.72 125.44 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.075 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -107.18 178.23 4.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.46 -34.87 78.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.971 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -73.09 -23.1 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.235 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.39 -55.42 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.8 tp -50.51 -29.75 11.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.392 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -20.21 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 22.6 mm -74.64 -54.77 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.811 0.339 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -53.74 -26.0 21.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.326 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.07 -33.43 22.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.953 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -69.12 -30.05 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -24.65 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.281 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.5 p -58.33 174.32 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.62 9.76 75.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.841 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -114.99 -177.24 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.321 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 82.6 p -121.29 115.06 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.782 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.7 mm -113.14 158.29 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.3 t -94.95 163.78 13.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.16 -24.77 62.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -55.49 11.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.929 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.29 -37.07 64.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.074 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 19.2 mt -72.73 -28.35 27.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -70.93 -45.03 64.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -60.63 -30.89 70.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -31.11 69.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -37.76 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -71.35 -28.87 64.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.02 -3.32 44.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.488 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.408 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.96 -27.18 1.58 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.661 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.33 93.48 9.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -62.25 -23.81 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.045 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.24 10.36 18.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.219 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 48.88 38.39 12.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.708 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.34 -6.37 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.63 0.252 . . . . 0.0 111.46 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.81 -16.02 55.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.725 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -131.68 144.15 50.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 46.9 mt -110.0 131.88 59.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.601 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.405 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.2 p30 -103.79 178.07 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.562 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -62.66 -21.13 65.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.186 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.25 -53.12 8.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.293 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -65.93 -40.56 91.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -24.96 65.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.104 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -39.9 70.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.808 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.41 -27.27 34.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.82 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.408 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.46 -45.59 88.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.07 4.72 36.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.481 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.0 tttt . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 121.223 0.535 . . . . 0.0 109.918 179.346 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.731 0.3 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.82 -29.87 35.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.813 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.07 -20.72 62.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -23.07 17.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.282 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.3 p -65.79 -46.94 76.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.88 0.371 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.16 -41.52 88.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.58 -30.02 62.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.19 -46.46 88.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -58.87 -35.72 73.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.1 mmt -58.18 -29.85 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 120' ' ' MET . 4.6 m-85 -79.73 -23.75 42.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -90.09 141.05 29.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.767 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -114.25 -44.6 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -85.19 1.09 49.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.451 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.16 71.19 0.34 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.812 0.339 . . . . 0.0 111.464 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -123.05 -1.17 8.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.497 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.76 -11.91 71.04 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.693 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -136.01 145.74 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 0.0 110.708 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.2 mt -108.51 128.07 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -107.45 -175.95 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 tp -66.75 -31.88 72.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.16 -56.56 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.028 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.32 -49.53 76.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 26.7 tp -57.33 -37.42 72.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -54.18 -22.72 12.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.511 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.444 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 23.9 mt -82.41 -32.14 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.017 0.437 . . . . 0.0 111.345 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.425 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 6.4 tmm? -53.19 -40.82 64.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.153 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.416 ' N ' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -95.53 -18.79 20.33 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 119' ' ' ILE . 4.0 pt20 -79.46 -45.85 18.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.78 0.324 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 122' ' ' GLN . . . -59.37 -30.84 68.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.302 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.5 p -68.08 170.59 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.39 7.68 79.9 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.896 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -94.8 173.09 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.2 p -119.24 108.46 14.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' ' 128' ' ' ILE . 3.2 mp -119.57 142.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.62 -175.46 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.56 8.92 17.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.475 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.65 -53.75 4.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.844 0.354 . . . . 0.0 110.62 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -30.64 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.041 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.7 mt -72.18 -54.06 17.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -55.07 -28.91 55.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.216 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.06 15.49 15.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.81 -31.91 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.7 mtp -83.79 -39.55 19.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -58.3 -30.14 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -81.84 -5.71 58.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.327 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.06 -3.23 8.99 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.783 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.49 93.37 6.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.819 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -77.11 -37.39 54.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -86.88 -2.79 58.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.299 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 51.59 28.42 4.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.475 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -70.05 -36.47 75.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.796 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 124.69 3.31 7.8 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.88 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -150.55 161.07 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.778 0.323 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.45 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 55.6 mt -108.79 127.45 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -103.64 173.96 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.457 ' CE1' ' CD1' ' A' ' 154' ' ' LEU . 73.7 t80 -57.58 -28.06 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.182 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -55.0 7.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.455 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -64.61 -38.32 90.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.218 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.45 ' CD2' ' CG2' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -70.9 -29.15 65.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.457 ' CD1' ' CE1' ' A' ' 150' ' ' TYR . 1.2 mp -59.68 -43.61 93.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.47 -31.96 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.724 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.87 -29.95 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.8 mmt -105.19 1.52 28.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.5 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.025 0.44 . . . . 0.0 110.132 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.692 0.282 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -95.84 -8.37 34.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.001 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -89.85 -27.52 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 mt -58.1 -20.84 43.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -65.24 -46.45 80.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.81 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.92 -39.26 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.619 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.96 -28.88 64.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.748 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -62.18 -48.62 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -59.35 -40.18 85.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.794 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -30.22 59.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.64 -19.62 55.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.39 142.09 28.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.652 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -40.07 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.079 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -103.71 11.89 35.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.491 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.8 75.36 0.11 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.558 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -120.5 -6.13 9.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.655 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.62 -10.86 68.75 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.615 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 18.6 m-85 -137.75 153.08 49.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.721 0.296 . . . . 0.0 110.618 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.9 mt -108.46 131.09 59.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 111.042 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -110.56 173.73 6.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.853 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.06 -35.93 80.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -29.87 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.173 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -85.54 -47.18 10.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.73 -41.18 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -59.77 -33.54 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 22.9 mt -72.32 -46.99 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 9.2 tmm? -53.43 -30.95 43.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.36 -33.05 58.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -68.99 -25.04 64.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.26 -30.96 71.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.6 p -69.25 168.68 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -89.81 11.88 69.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.748 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -110.54 177.47 4.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.4 p -112.42 124.81 53.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.4 mm -120.0 140.6 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.7 t -97.6 -179.1 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -27.69 67.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.82 -53.9 51.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.08 -37.96 78.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 17.6 mt -64.69 -48.04 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.84 -31.13 67.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.89 -44.57 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -30.41 69.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -46.03 33.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -27.54 68.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -77.77 -9.67 59.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.456 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.418 ' HA3' ' CD2' ' A' ' 156' ' ' PHE . . . -123.1 -24.62 1.99 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.744 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.0 92.08 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.351 . . . . 0.0 111.158 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.57 -37.26 43.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.712 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -89.36 -5.06 57.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.291 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.69 31.6 6.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.756 0.313 . . . . 0.0 111.402 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -83.36 1.36 41.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.429 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.29 -12.9 67.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.918 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -140.56 151.23 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.428 HG23 ' CD2' ' A' ' 153' ' ' PHE . 19.0 mt -108.89 132.48 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.241 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.8 p30 -103.46 178.93 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.71 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -69.59 -19.72 63.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.703 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.37 -56.86 4.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.763 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -70.76 -37.16 73.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.634 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.3 OUTLIER -64.83 -29.2 70.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.806 0.336 . . . . 0.0 110.907 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -32.55 29.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.615 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -83.64 -27.51 29.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.418 ' CD2' ' HA3' ' A' ' 140' ' ' GLY . 1.6 t80 -51.31 -31.25 20.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -78.54 -72.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.18 179.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.1 pttp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.127 -179.661 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.721 0.296 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -29.84 13.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.04 -32.94 68.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.924 0.392 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.78 -27.28 68.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.084 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -51.02 62.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.05 -28.43 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.76 -30.38 21.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CZ ' HD12 ' A' ' 112' ' ' ILE . 18.0 t80 -63.84 -43.08 97.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -56.66 -36.69 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.4 mtt -56.25 -28.0 57.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -88.14 -10.76 48.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.381 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 136.05 44.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.749 0.309 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -115.87 -40.05 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -80.89 0.34 35.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.699 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.15 59.01 4.85 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.934 0.397 . . . . 0.0 111.289 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -120.63 -7.12 9.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.601 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.71 -14.13 64.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.689 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -125.28 148.82 48.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.728 0.299 . . . . 0.0 110.721 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.429 HD12 ' CZ ' ' A' ' 101' ' ' PHE . 2.4 mp -115.65 127.39 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.237 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.9 178.65 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.962 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.51 -39.92 89.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -38.02 72.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.03 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -69.34 -62.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.0 tp -49.13 -27.97 3.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.18 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -59.55 -29.1 67.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.045 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.3 mt -81.66 -41.22 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.407 ' CE ' ' N ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -53.99 -44.15 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.407 ' N ' ' CE ' ' A' ' 120' ' ' MET . 2.9 pp -72.32 -34.93 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -28.08 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.52 -28.46 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.293 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.4 p -72.82 -178.14 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -110.3 13.71 30.84 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.628 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -103.76 177.85 4.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.4 p -110.01 123.38 49.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.1 mm -122.35 134.35 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.2 t -86.02 172.19 10.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.84 -36.22 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.57 -47.41 86.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.61 -38.58 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 19.9 mt -70.48 -47.07 67.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -58.95 -48.0 83.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.034 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.35 -31.44 71.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -31.83 72.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -44.33 65.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.16 -29.07 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.976 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -82.18 -6.76 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.371 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.445 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.07 -2.38 9.25 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.728 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.34 102.72 12.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.762 0.315 . . . . 0.0 110.801 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -84.03 -36.77 22.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -83.82 -7.7 59.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.235 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 52.35 26.73 4.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.524 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -69.93 -36.12 75.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.702 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 131.66 -0.54 5.04 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.851 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.37 161.26 42.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.826 0.313 . . . . 0.0 110.798 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.445 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 28.6 mt -108.7 127.81 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.27 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -103.68 179.64 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.685 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.448 ' CE1' ' CD1' ' A' ' 154' ' ' LEU . 13.5 t80 -60.93 -29.06 69.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.279 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.84 -54.83 10.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.043 0.449 . . . . 0.0 110.402 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -65.02 -41.62 95.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.405 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.445 ' CD2' ' CG2' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -69.05 -26.25 64.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.721 0.296 . . . . 0.0 111.028 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' A' ' 150' ' ' TYR . 0.8 OUTLIER -59.41 -37.02 76.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.542 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.27 -29.85 48.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.723 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.445 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.24 -18.06 23.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.288 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.38 17.85 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.702 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.158 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.658 0.266 . . . . 0.0 111.577 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.54 -28.99 16.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -26.86 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.016 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mt -55.43 -23.15 23.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m -61.17 -37.05 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.789 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -36.73 85.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.7 mt -77.16 -31.4 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.423 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 35.3 t80 -59.96 -43.3 95.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -55.63 -38.84 70.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mmt -55.63 -25.02 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -83.91 -22.07 31.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.042 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.17 138.32 36.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.704 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -107.96 -36.41 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -101.04 6.11 43.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.545 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.34 75.3 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.746 0.308 . . . . 0.0 111.36 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -121.57 -3.73 9.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.534 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.68 -17.04 59.4 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 27.8 m-85 -134.12 142.88 47.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.808 0.337 . . . . 0.0 110.69 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.423 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 3.7 mp -108.62 135.44 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -107.73 -179.69 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.15 -29.32 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.085 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.06 -55.04 11.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.078 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.73 -50.7 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.4 tp -50.24 -27.75 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.192 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -64.93 -31.86 73.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.3 mt -75.68 -44.29 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.032 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.51 -35.93 54.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.89 -31.32 31.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -27.87 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.72 -32.71 71.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.4 p -75.5 171.61 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -93.58 19.85 50.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.703 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -104.06 171.07 7.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.25 113.18 19.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.3 mt -126.03 141.15 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.5 t -85.51 167.32 15.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.14 -23.4 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.54 -57.7 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.49 -36.76 69.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 20.7 mt -71.18 -30.65 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.9 -50.6 33.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.84 -31.02 69.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 86.9 mmm -80.66 -40.56 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -25.45 63.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -89.79 10.06 24.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.428 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.425 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -123.56 -34.19 0.77 Allowed Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.309 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.08 96.97 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -72.7 -29.22 63.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -96.62 2.8 52.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.386 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 54.97 24.31 5.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.725 0.298 . . . . 0.0 111.274 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.62 -16.3 60.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.396 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.25 -4.29 67.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.756 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -142.3 154.88 45.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 0.0 110.631 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.14 128.04 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.973 0.416 . . . . 0.0 111.467 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.403 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.3 p30 -103.08 172.95 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.502 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.42 ' CZ ' HD22 ' A' ' 154' ' ' LEU . 36.3 t80 -57.32 -24.26 53.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.234 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -53.72 7.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.979 0.418 . . . . 0.0 110.379 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.56 -37.59 85.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.213 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -25.85 63.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.679 0.276 . . . . 0.0 111.051 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.42 HD22 ' CZ ' ' A' ' 150' ' ' TYR . 0.1 OUTLIER -61.52 -43.28 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.92 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -71.86 -32.63 67.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.425 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -56.81 -38.55 72.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.028 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.49 0.7 42.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.479 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 121.059 0.456 . . . . 0.0 110.019 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.606 0.241 . . . . 0.0 111.458 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -88.66 -32.09 18.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.831 0.348 . . . . 0.0 110.97 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -24.21 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.58 -15.61 52.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.429 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 82.9 p -69.63 -34.57 74.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.48 -38.63 81.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.92 -12.46 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.375 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 150' ' ' TYR . 66.6 t80 -67.6 -42.72 81.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.674 0.273 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -59.53 -31.71 69.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 32.2 mtt -57.42 -31.41 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.973 0.416 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.04 -18.44 53.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.115 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.12 146.14 25.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.829 0.347 . . . . 0.0 110.817 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -115.91 -45.56 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -82.92 -0.11 46.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.528 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.67 57.51 6.55 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.887 0.375 . . . . 0.0 111.413 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -105.59 -11.59 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.409 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.11 -9.84 58.11 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.694 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -138.49 154.13 48.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 110.724 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.423 HD12 ' CZ ' ' A' ' 101' ' ' PHE . 1.8 mp -108.32 134.16 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.192 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -111.81 176.42 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.797 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.36 -29.85 69.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.063 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.58 -28.29 65.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.175 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.5 -43.01 10.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 111.008 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 tp -53.52 -25.19 15.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.263 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -84.36 -23.86 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.203 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.8 mt -66.21 -57.84 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 111.129 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -56.04 -29.25 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.4 mt -75.24 -38.99 60.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -66.3 -29.89 70.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.43 -22.84 66.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.324 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.2 p -63.81 -169.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -111.7 6.14 27.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.84 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -108.32 178.19 4.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.756 0.312 . . . . 0.0 110.964 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.1 p -105.12 131.81 52.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.2 mp -127.79 131.42 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.0 t -87.39 176.15 7.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.752 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.02 -32.65 72.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -47.74 81.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -54.66 -44.52 73.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.082 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 44.0 mm -58.08 -34.08 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -70.33 -55.19 9.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.096 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.41 -36.75 78.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.11 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.21 -41.8 93.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -36.22 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -29.6 69.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 1.2 t0 -69.21 -12.24 61.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.388 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.449 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.24 -22.58 2.58 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.696 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.01 83.21 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.868 0.366 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -79.22 -37.73 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -82.78 -10.56 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 45.69 45.2 11.02 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.479 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -107.25 14.03 26.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.307 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.88 -17.83 58.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.885 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -145.01 157.69 44.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.839 0.352 . . . . 0.0 111.05 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.31 132.56 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.286 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.6 p30 -103.22 174.31 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.423 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.475 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 23.7 t80 -62.48 -28.9 70.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 111.455 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.46 -55.94 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -76.17 -34.82 59.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.949 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.493 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -65.54 -34.15 77.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.639 0.257 . . . . 0.0 111.192 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 9.7 mt -50.54 -29.65 11.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.877 0.37 . . . . 0.0 110.791 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 158' ' ' LYS . 17.0 mt-10 -79.45 -25.38 41.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.449 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.5 OUTLIER -52.37 -25.33 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 0.0 110.687 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.6 mmt -101.51 24.09 10.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.186 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 155' ' ' GLU . 17.2 mmtt . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 121.299 0.571 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.13 -24.43 14.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.833 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -71.01 -25.09 62.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.136 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.37 -10.74 59.63 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.55 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.0 p -70.78 -51.39 27.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 111.275 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -56.32 -39.48 72.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -22.05 66.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.325 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.426 ' HA ' ' CE2' ' A' ' 153' ' ' PHE . 44.3 t80 -60.96 -50.3 73.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.22 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -31.34 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.186 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -30.97 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.994 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -25.1 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.269 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.46 138.43 31.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.912 0.387 . . . . 0.0 110.995 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -105.11 -44.91 4.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -89.19 7.82 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.364 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 40.65 96.01 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -141.11 -40.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.276 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 136.77 -11.91 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.51 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -135.7 154.22 51.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.781 0.324 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.2 mt -108.9 118.96 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.119 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.85 177.41 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -35.64 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.113 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.45 -46.94 88.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.034 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.36 -48.57 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.85 -40.21 96.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -27.59 66.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.6 mt -89.36 -43.36 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.236 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.0 -26.59 68.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.347 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.78 -49.99 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.207 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -58.58 -43.71 89.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.015 0.436 . . . . 0.0 110.55 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.01 -23.16 18.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.518 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 6.7 p -75.28 177.9 6.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.844 0.354 . . . . 0.0 110.758 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.28 15.5 62.01 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.706 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -115.22 165.03 13.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.323 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.8 p -108.23 126.05 52.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.31 133.91 65.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.9 p -76.57 163.46 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.991 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -31.14 72.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.11 -41.69 99.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.33 -39.86 80.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 34.7 mm -60.54 -29.24 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.66 -45.72 42.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -70.51 -27.44 64.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.02 -44.13 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.056 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -28.19 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.77 -29.64 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.68 -11.45 60.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.465 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.427 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.89 -22.22 2.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.955 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.95 89.55 4.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.876 0.369 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -73.92 -32.31 63.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.734 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -90.3 -1.62 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m120 62.82 17.39 9.87 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.607 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.76 -30.72 71.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.387 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.5 45.91 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -140.31 156.53 46.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.93 116.2 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.23 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -103.91 179.78 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -51.99 -28.56 17.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.334 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.49 -55.18 6.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.836 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.12 -27.3 66.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.057 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' A' ' 101' ' ' PHE . 7.7 t80 -65.52 -29.94 70.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.0 -41.34 51.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.02 -46.49 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.427 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.4 OUTLIER -45.3 -28.7 0.87 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.406 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.7 tpp -79.38 -69.82 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.59 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? . . . . . 0 N--CA 1.463 0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.337 -179.589 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.536 0.208 . . . . 0.0 111.403 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -73.93 -29.8 62.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.375 . . . . 0.0 110.571 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -25.0 58.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.4 mt -57.49 -20.64 32.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.363 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.5 p -60.66 -41.37 94.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -37.89 89.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.751 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.12 -28.93 63.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -60.16 -50.63 72.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -60.84 -34.66 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.72 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.72 66.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.727 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 120' ' ' MET . 7.3 m-85 -80.17 -18.63 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 147.15 25.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -110.66 -41.98 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -89.97 7.73 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.636 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.37 68.0 0.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.923 0.392 . . . . 0.0 111.628 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -120.63 -30.28 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.88 -6.97 17.48 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.526 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -128.51 142.69 50.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.749 0.309 . . . . 0.0 110.539 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.429 HD12 ' CE2' ' A' ' 153' ' ' PHE . 26.7 mt -108.75 131.96 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.323 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -115.64 -173.01 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.749 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -37.69 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -63.33 -55.4 24.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.76 -37.5 73.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.1 tp -77.15 -12.93 60.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.355 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -82.85 -31.18 28.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.5 pt -75.3 -38.23 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.282 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.42 ' HG3' ' CE2' ' A' ' 104' ' ' PHE . 6.1 tmm? -60.99 -52.34 65.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.92 -43.0 80.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -63.3 -26.95 69.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.85 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.05 -23.86 67.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.6 p -58.49 -172.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.328 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -109.23 13.14 33.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.762 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -120.95 -177.6 3.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 110.801 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.4 p -95.8 129.34 43.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.6 mm -133.5 120.95 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.7 t -80.96 171.53 14.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.66 -20.12 65.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.368 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.13 -60.32 2.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.767 0.318 . . . . 0.0 111.133 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -29.02 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.352 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.7 mt -85.67 -11.81 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -88.91 -37.9 14.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.783 0.325 . . . . 0.0 111.059 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.65 -35.33 77.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.133 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -31.89 69.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.2 mmt -65.7 -40.79 92.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -72.36 -30.2 64.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 2.0 m-20 -68.36 -17.31 64.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.271 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.448 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.58 -19.66 3.06 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.83 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -81.85 94.96 7.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -81.89 -29.37 32.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -84.9 -5.09 59.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.377 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 49.24 27.96 2.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 111.532 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -81.84 -31.22 31.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.707 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 126.33 -7.19 7.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.73 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -140.83 151.93 44.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.799 0.333 . . . . 0.0 110.753 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.419 HG22 ' CD2' ' A' ' 153' ' ' PHE . 47.9 mt -108.63 134.02 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -103.78 176.81 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.776 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.467 ' CE1' ' CD1' ' A' ' 154' ' ' LEU . 63.7 t80 -61.0 -21.53 63.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -53.03 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.378 . . . . 0.0 110.416 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -67.6 -37.51 82.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.203 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.429 ' CE2' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -72.69 -27.15 61.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.154 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.467 ' CD1' ' CE1' ' A' ' 150' ' ' TYR . 1.0 OUTLIER -58.59 -36.53 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 110.623 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -76.7 -27.98 55.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.448 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -55.5 -31.88 62.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.98 20.94 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.012 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 120.584 0.231 . . . . 0.0 111.596 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -88.04 -24.34 23.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.907 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -28.65 64.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.89 -25.17 18.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.246 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.3 p -74.18 -36.32 64.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.691 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -47.94 82.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.39 -23.5 66.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -63.29 -53.71 48.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.059 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -43.91 74.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.991 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 16.0 mtt -53.94 -27.29 30.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.418 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 2.5 m-85 -87.06 -13.53 44.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.372 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -97.63 143.91 27.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.802 0.334 . . . . 0.0 110.769 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -115.68 -40.14 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.204 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -81.67 1.02 36.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.695 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.74 62.56 2.4 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.911 0.386 . . . . 0.0 111.21 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -123.32 -8.83 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.651 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.78 -11.33 69.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.582 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -126.36 143.33 51.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.735 0.302 . . . . 0.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.416 HD12 ' CE2' ' A' ' 153' ' ' PHE . 28.8 mt -108.43 133.42 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.902 0.382 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.06 168.44 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -43.25 90.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -21.45 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -85.6 -58.62 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 111.039 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.418 ' CD1' ' CD2' ' A' ' 104' ' ' PHE . 20.8 tp -48.71 -28.91 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.449 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -20.04 56.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.453 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.4 mt -67.13 -59.02 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.208 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.32 -30.08 59.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' A' ' 133' ' ' ILE . 0.8 OUTLIER -65.94 -31.82 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -72.09 -29.25 63.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.92 -15.88 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.563 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.3 p -65.99 169.9 6.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.769 0.319 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -90.61 -4.1 70.64 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.767 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.57 -178.49 3.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.856 0.36 . . . . 0.0 110.795 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.0 p -120.15 117.84 28.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.2 mm -116.29 145.08 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.44 173.67 11.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.43 -31.99 32.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.41 -49.75 65.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -51.9 -37.9 54.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.407 ' CD1' ' CD1' ' A' ' 121' ' ' LEU . 29.3 mm -79.23 -40.07 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.305 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.57 -24.36 13.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.294 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.5 17.1 10.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.348 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.91 -30.18 11.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.844 0.354 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -43.1 28.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -41.25 87.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.402 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -89.48 8.64 30.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.321 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -126.98 0.61 7.18 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.667 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.25 106.87 13.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.802 0.334 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -75.9 -39.01 57.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -86.69 -2.67 58.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.7 p30 44.11 36.77 1.58 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.723 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -78.11 -36.47 47.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.921 0.391 . . . . 0.0 110.771 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 133.0 -7.17 5.13 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -141.21 151.73 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 23.8 mt -108.37 133.19 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.232 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.5 p30 -104.34 -176.51 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.822 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.433 ' CZ ' HD12 ' A' ' 154' ' ' LEU . 33.9 t80 -62.53 -43.08 99.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.019 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -57.45 -53.13 61.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.61 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -63.64 -50.18 70.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.399 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -61.16 -25.81 67.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.244 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.433 HD12 ' CZ ' ' A' ' 150' ' ' TYR . 2.4 tp -59.26 -33.99 71.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 0.0 110.782 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.87 -33.85 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.727 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.402 ' CE1' ' O ' ' A' ' 139' ' ' ASP . 5.1 t80 -54.74 -22.85 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -73.61 -71.35 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.056 179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.604 0.24 . . . . 0.0 111.521 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -26.95 54.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.768 0.318 . . . . 0.0 110.656 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -74.76 -24.43 58.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.3 -21.91 27.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.6 t -68.04 -45.79 72.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 0.0 110.676 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.47 -43.25 93.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.89 -27.59 61.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.959 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.13 -41.19 98.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -59.25 -40.94 87.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.1 mmm -52.3 -29.37 23.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.75 -20.17 53.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.008 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -93.27 145.27 24.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -99.65 -34.33 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -115.08 16.35 17.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.501 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.69 72.78 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.75 0.31 . . . . 0.0 111.574 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -115.03 -14.2 11.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.414 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.25 -15.71 60.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.616 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 20.6 m-85 -130.41 139.38 50.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.766 0.317 . . . . 0.0 110.651 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.66 133.14 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -107.68 -177.4 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.77 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.07 -30.94 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.33 -60.38 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.96 -48.53 78.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.71 -28.26 46.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -76.88 -30.54 56.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 46.3 mt -70.17 -53.1 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.6 ttp -56.41 -36.49 69.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.62 -36.82 62.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -68.64 -30.02 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.682 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.04 68.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.6 p -64.43 177.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -106.36 4.55 37.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.836 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -93.28 -178.88 4.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.9 p -113.48 114.99 27.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.54 133.52 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.3 t -83.07 174.61 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -76.68 -34.12 58.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -49.76 72.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.21 -39.21 72.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.6 mt -71.72 -45.31 66.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.255 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.58 -50.4 73.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -28.57 70.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -62.6 -32.16 73.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -36.77 84.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -70.93 -28.07 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -77.97 -4.44 46.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.424 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.434 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.05 -26.45 1.69 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.563 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.86 95.29 9.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -68.7 -26.14 65.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -102.16 3.46 38.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.419 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.6 t30 46.76 37.55 4.85 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.771 0.319 . . . . 0.0 111.449 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.08 -1.39 44.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.365 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.75 -16.11 58.96 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.783 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -133.85 145.73 49.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.8 mt -109.27 129.49 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.226 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.422 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 56.0 p-10 -103.83 -178.72 3.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -59.05 -21.1 58.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.317 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.37 -53.15 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.336 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.57 -35.9 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -24.79 59.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.18 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -36.41 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.982 0.42 . . . . 0.0 110.785 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -23.62 56.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.998 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.434 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -68.59 -7.47 33.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.615 -179.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.94 12.58 9.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.684 0.278 . . . . 0.0 110.984 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 34.6 tttm . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.396 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.656 0.265 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.49 10.41 41.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.305 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -102.12 -28.23 12.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.227 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 17.8 mt -69.64 -14.83 63.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.344 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -51.89 19.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -34.55 73.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.78 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.41 ' O ' ' CG ' ' A' ' 103' ' ' MET . 0.8 OUTLIER -73.8 -20.48 60.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 11.6 t80 -74.2 -36.83 64.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.194 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -50.94 71.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.398 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' MET . . . . . 0.41 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 17.2 ptm -52.27 -42.87 64.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 110.75 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -58.87 -29.61 67.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.679 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -87.17 143.72 27.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.659 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -107.93 -46.21 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.153 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -88.44 8.29 28.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.66 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.45 73.17 0.16 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.777 0.322 . . . . 0.0 111.541 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -124.08 -4.62 7.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.652 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.4 -4.35 73.32 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.609 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -139.59 144.06 37.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.728 0.299 . . . . 0.0 110.524 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.422 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 2.5 mt -108.63 133.6 53.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.211 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -107.46 177.55 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.852 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -28.98 70.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.291 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -69.75 -61.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.103 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.28 -43.62 74.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.5 tp -57.28 -24.0 52.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.287 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -87.07 -27.32 23.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.243 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.7 mt -65.46 -55.08 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.19 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.93 -28.12 6.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.267 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.0 mt -66.27 -37.06 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.81 -29.26 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.73 -21.59 60.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.454 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.2 p -75.8 179.03 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -108.2 3.03 33.14 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.83 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.01 -177.62 3.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.354 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 70.7 p -122.68 109.06 13.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.7 mm -108.35 144.1 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.1 t -90.65 164.02 14.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.76 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -70.02 -34.52 73.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.261 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.31 -48.6 81.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.04 -38.16 72.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 41.8 mm -74.23 -46.53 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.224 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -52.88 -40.49 63.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.45 -27.97 63.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -31.06 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.002 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -44.03 25.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -63.89 -29.56 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.414 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 5.2 t0 -92.36 -1.29 57.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.521 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.29 1.27 9.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.777 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.42 108.21 15.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.96 0.41 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 142' ' ' LYS . 2.1 mppt? -85.69 -34.85 21.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -83.72 -6.87 59.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.83 24.14 10.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.414 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -65.82 -37.82 87.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.98 0.419 . . . . 0.0 110.677 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.4 4.46 10.93 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.965 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -144.0 157.76 44.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.813 0.34 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 52.5 mt -108.91 126.6 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.8 p30 -103.68 170.63 7.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -65.62 -20.51 66.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.345 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.74 -58.87 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 111.075 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.22 -34.97 75.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.665 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.451 ' CD2' ' CG2' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -61.09 -29.3 69.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.745 0.307 . . . . 0.0 110.941 -179.783 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -35.76 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -92.89 -35.51 13.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' A' ' 139' ' ' ASP . 46.0 t80 -68.54 -45.67 71.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -2.14 38.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.166 0 CA-C-O 121.195 0.522 . . . . 0.0 109.791 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.634 0.255 . . . . 0.0 111.541 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.89 -22.12 21.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.834 0.35 . . . . 0.0 110.783 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.02 -26.1 43.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.993 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.4 mt -54.41 -24.04 18.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -67.44 -41.79 84.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.763 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.64 -40.08 86.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -31.11 60.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' A' ' 150' ' ' TYR . 14.7 t80 -57.72 -50.6 72.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -56.88 -41.8 78.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.5 mtt -54.85 -27.2 40.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . 0.412 ' CE2' ' HE3' ' A' ' 120' ' ' MET . 0.8 OUTLIER -84.23 -24.51 30.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.24 149.3 21.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.771 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -116.21 -45.18 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -80.4 0.08 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.772 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.93 71.04 0.31 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.927 0.394 . . . . 0.0 111.628 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -123.16 -30.52 3.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.17 -3.45 10.55 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.537 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CZ ' ' OD2' ' A' ' 149' ' ' ASP . 38.7 m-85 -137.84 147.51 44.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.699 0.285 . . . . 0.0 110.541 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 18.9 mt -108.66 135.64 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.345 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -108.39 176.89 4.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.55 -28.47 69.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.183 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.48 -57.42 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.98 -40.2 66.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.1 mt -54.42 -29.29 48.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -89.66 -5.76 56.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.513 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.485 HD11 HG23 ' A' ' 119' ' ' ILE . 26.2 mt -91.0 -67.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.614 0.245 . . . . 0.0 111.427 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.412 ' HE3' ' CE2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -57.92 -21.44 43.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.032 -179.776 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.39 -30.48 68.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.579 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -69.46 -28.05 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.68 -9.15 58.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.651 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.6 p -65.3 -174.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.003 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -103.53 -17.55 17.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.712 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -105.82 -176.58 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.99 128.73 55.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.14 131.98 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.035 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.0 t -84.21 169.59 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.782 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -63.57 -23.32 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.104 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.69 -55.76 23.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.89 -33.95 62.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 35.6 mt -64.37 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -46.65 89.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -30.58 68.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -32.91 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.4 -43.08 33.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -62.68 -25.59 68.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -100.2 0.29 40.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.406 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.86 -27.97 1.47 Allowed Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.846 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.2 97.66 11.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -31.34 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -83.64 -8.1 59.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 58.85 25.87 14.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.445 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -78.12 -3.15 40.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.381 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.21 -9.09 76.43 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.608 -0.805 . . . . 0.0 113.007 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -133.55 155.7 49.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 56.1 mt -108.53 123.84 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.184 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.405 ' OD2' ' CZ ' ' A' ' 111' ' ' TYR . 7.0 t70 -103.61 168.37 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.422 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 31.5 t80 -57.36 -41.8 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.017 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.81 -52.99 63.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.18 -40.84 86.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.263 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -27.01 67.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.504 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 13.1 mt -53.69 -37.14 62.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -28.03 39.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.406 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.7 -54.18 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.56 2.48 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.747 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.15 0.5 . . . . 0.0 109.949 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -30.79 46.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 0.0 110.687 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -21.67 55.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.4 mt -56.41 -21.69 26.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.318 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 150' ' ' TYR . 70.9 p -69.84 -39.0 76.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.783 0.325 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.73 -42.44 93.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.0 -22.15 64.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.95 -50.13 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.993 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -33.26 68.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 mtt -57.47 -30.15 64.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -8.7 59.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.9 140.69 33.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.8 0.333 . . . . 0.0 110.806 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.73 -36.75 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.278 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -99.64 8.37 44.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.537 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.4 71.02 0.3 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.784 0.326 . . . . 0.0 111.5 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -120.07 -7.16 9.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.476 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.89 -15.65 62.24 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.515 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -128.89 144.61 51.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.74 0.305 . . . . 0.0 110.754 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mt -108.74 131.62 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -109.12 174.57 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.96 -30.84 70.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.081 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.04 -32.22 63.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.092 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.31 -65.19 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.562 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.39 -27.04 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.421 ' HA ' HD21 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -66.42 -15.16 63.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.195 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.437 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 26.2 mt -90.38 -49.92 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 111.468 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -31.96 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.919 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' A' ' 118' ' ' LYS . 4.2 pp -82.74 -41.43 19.25 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 119' ' ' ILE . 20.5 pt20 -64.58 -45.72 85.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 122' ' ' GLN . . . -56.81 -22.36 35.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.214 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 9.5 t -119.91 107.36 13.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.13 26.95 11.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.612 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -122.25 -11.0 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 p -111.13 -164.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.725 0.298 . . . . 0.0 111.087 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.409 ' CG2' ' CB ' ' A' ' 132' ' ' ASP . 3.2 mp -49.69 129.77 7.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.915 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.3 m -79.07 165.79 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . 0.401 ' CA ' HD12 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -53.13 -23.74 8.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.685 -179.701 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -61.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 111.178 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . 0.409 ' CB ' ' CG2' ' A' ' 128' ' ' ILE . 0.7 OUTLIER -59.64 -34.63 73.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.602 -179.513 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 44.8 mm -67.1 -57.29 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.707 0.289 . . . . 0.0 111.395 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -48.25 -29.42 3.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.29 -30.27 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -30.53 70.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 4.6 tpt -57.76 -49.12 77.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.35 -26.28 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -99.21 11.05 40.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.502 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.42 -34.76 0.74 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.38 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.57 99.57 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -80.59 -36.07 33.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -84.53 -6.4 59.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 48.83 27.81 1.71 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 111.63 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -73.81 -36.06 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.495 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.86 -9.59 3.36 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.814 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -141.83 161.87 36.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.755 0.312 . . . . 0.0 110.694 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 24.2 mt -108.14 126.28 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.938 0.399 . . . . 0.0 111.211 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.0 p30 -103.67 179.34 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.459 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 98' ' ' SER . 27.7 t80 -71.38 -19.42 62.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.284 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.35 -60.31 2.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.0 111.018 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.93 -36.96 81.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.814 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.495 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -59.81 -25.51 65.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.715 0.293 . . . . 0.0 110.89 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -33.23 68.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.81 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.27 -30.95 33.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.74 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.34 -26.13 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.863 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.68 -73.98 0.39 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.384 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.406 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -27.86 0.21 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.465 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.86 -26.25 5.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.107 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.56 -15.81 28.12 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.16 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 7.6 t -75.26 -23.72 57.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.76 -44.15 69.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.434 ' CD1' ' N ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -71.34 -12.81 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.55 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 150' ' ' TYR . 10.2 t80 -69.62 -47.82 62.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.691 0.282 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -31.35 72.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.5 mmt -59.83 -36.66 77.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.76 -16.08 60.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.239 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.78 145.72 24.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.788 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -110.29 -36.32 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.084 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -100.97 4.19 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.435 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.62 59.94 4.02 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.859 0.362 . . . . 0.0 111.228 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -105.82 -8.14 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.428 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.67 -16.29 59.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.783 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -129.71 157.38 42.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 110.77 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.39 138.66 48.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -115.92 -176.07 2.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.35 -24.78 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.44 -37.68 65.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.296 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -46.81 13.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 111.151 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 26.7 tp -50.84 -26.0 5.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.544 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.05 -27.19 30.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.319 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 39.7 mt -69.24 -55.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.264 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptm -58.92 -20.3 50.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.377 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 17.0 mt -83.95 -43.32 15.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.363 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -64.29 -41.99 96.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.011 0.434 . . . . 0.0 110.719 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.24 52.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.394 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.2 p -57.14 -170.33 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -97.84 -15.18 37.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.765 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.64 -179.89 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.95 116.76 25.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.6 142.75 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.9 p -82.67 -176.2 6.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -79.7 -43.56 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.11 -43.21 73.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -35.03 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 23.8 mt -74.07 -59.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.039 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -57.03 -31.47 65.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.3 -31.79 72.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -46.53 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -48.36 79.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -54.43 -24.88 21.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -96.28 -12.95 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.48 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.458 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.39 13.8 8.84 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.794 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -114.66 90.61 3.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -82.57 -39.61 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -86.76 -7.51 58.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.631 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.2 m120 44.59 42.33 5.6 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.718 0.294 . . . . 0.0 111.469 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -85.04 3.67 37.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.48 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 99.83 -6.94 58.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.706 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -153.25 166.92 31.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.747 0.308 . . . . 0.0 110.715 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.486 HG23 ' CG ' ' A' ' 153' ' ' PHE . 90.6 mt -108.22 128.44 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 111.293 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 9.4 p30 -104.15 173.38 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.444 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . 25.7 t80 -57.88 -28.24 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.385 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . 0.405 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 0.7 OUTLIER -68.22 -58.54 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.679 -179.374 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -76.16 -17.35 59.6 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.486 ' CG ' HG23 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -89.57 -37.47 14.67 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.765 -179.312 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.413 ' CD1' ' N ' ' A' ' 155' ' ' GLU . 3.7 pp -57.3 -44.43 84.08 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.619 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.413 ' N ' ' CD1' ' A' ' 154' ' ' LEU . 3.8 mt-10 -63.87 -28.43 69.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.487 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.458 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -52.94 -38.29 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.12 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.5 mtm -99.09 -0.2 42.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.57 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 121.104 0.478 . . . . 0.0 110.068 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.934 0.397 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 -36.01 9.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.966 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -33.64 70.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.28 -25.3 67.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.05 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -38.67 68.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.92 -42.46 99.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.5 mt -67.38 -22.44 65.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CD1' ' CD2' ' A' ' 153' ' ' PHE . 1.9 t80 -62.59 -45.77 91.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.818 0.342 . . . . 0.0 111.061 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -62.33 -31.73 72.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.1 -35.26 74.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -76.31 -18.32 59.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -87.64 142.32 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.727 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.92 -40.98 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -104.33 11.42 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.38 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.25 56.23 8.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.908 0.385 . . . . 0.0 111.323 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -96.55 -8.67 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.409 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.13 -11.9 70.97 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.646 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -138.27 151.72 47.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.756 0.313 . . . . 0.0 110.771 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.4 mt -108.69 132.98 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -107.93 170.85 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.45 -31.56 72.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.78 -47.48 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -55.44 26.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.9 tp -51.53 -27.89 12.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.21 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -27.58 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.987 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 37.6 mt -62.91 -52.26 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.0 ttp -58.33 -27.8 64.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.34 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.52 -45.9 24.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.22 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -66.86 -44.03 82.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.07 0.462 . . . . 0.0 110.658 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.32 -28.61 65.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.2 156.95 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.64 8.08 76.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.903 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -75.94 155.92 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.18 92.6 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.9 mt -127.4 132.25 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.0 t -84.31 168.99 15.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.754 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -35.31 77.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.67 -44.12 76.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.051 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.62 -33.27 72.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 19.5 mt -71.82 -48.68 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -60.07 -51.98 67.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -28.8 64.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -35.85 81.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -46.89 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -26.31 62.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -82.34 -15.62 52.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.219 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.429 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.57 12.09 8.92 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.698 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -117.92 91.85 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.8 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -79.32 -33.07 43.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -87.36 -3.1 59.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.399 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 47.3 29.15 1.18 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 111.485 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -72.92 -35.57 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.717 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 125.31 -5.39 8.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.848 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mtt85 -142.8 153.26 43.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 110.765 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 46.1 mt -108.96 129.66 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -103.72 179.3 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -56.07 -25.33 44.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.215 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -54.24 7.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -23.44 53.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.371 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.434 ' CD2' ' CD1' ' A' ' 101' ' ' PHE . 1.8 t80 -80.98 -43.47 19.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.243 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 155' ' ' GLU . 3.1 pp -61.37 -42.75 99.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.997 0.427 . . . . 0.0 110.648 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . 0.43 ' N ' ' CD1' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -60.93 -34.35 74.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.584 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.429 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -49.86 -25.51 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.684 -179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.62 0.26 15.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.695 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp . . . . . 0 C--N 1.33 -0.249 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.973 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 120.653 0.263 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.23 -38.79 16.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 0.0 110.585 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -64.51 -27.95 69.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.556 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 48.2 mt -58.72 -20.79 52.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.568 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 t -52.5 -43.25 64.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.066 0.46 . . . . 0.0 110.898 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -59.31 -38.07 79.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.946 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.11 -32.25 73.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.76 -52.56 64.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -55.28 -39.71 70.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.4 mtt -55.93 -27.44 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.967 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -81.13 -20.78 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.8 134.64 33.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.834 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -103.35 -43.14 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -95.68 11.57 32.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.467 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.17 71.27 0.31 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.795 0.331 . . . . 0.0 111.401 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -119.87 -4.07 10.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.414 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.18 -10.95 69.01 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.772 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -134.08 151.71 51.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 0.0 110.725 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mt -108.59 118.51 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -107.71 174.64 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.7 -42.21 71.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.38 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.27 -53.14 60.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.1 tp -58.84 -31.03 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -62.63 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.9 mt -76.66 -41.4 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 ttp -57.03 -45.84 82.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.67 -41.94 82.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -65.16 -28.54 69.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.739 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.56 -26.15 68.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.0 p -68.55 -178.64 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -100.05 21.57 44.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.636 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -126.87 174.99 8.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 44.6 p -111.59 123.3 49.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 19.6 mm -120.74 155.3 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.6 p -96.01 160.08 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -20.6 59.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.76 -55.45 14.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.27 -43.83 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 29.8 mt -66.44 -28.29 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.42 -31.14 70.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -98.08 24.71 6.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.71 -38.04 8.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.725 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 38.2 mmm -72.43 -23.58 61.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -33.91 73.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.787 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.68 12.31 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.279 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.42 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.36 -35.8 0.68 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.384 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -104.44 118.58 36.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.031 0.443 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -78.75 -21.45 47.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.228 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -89.4 1.97 55.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.292 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.4 t30 49.82 27.96 2.54 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.317 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -71.29 -25.6 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.011 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.38 1.0 47.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.82 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -137.51 149.76 47.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.692 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -109.17 125.51 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.347 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -103.62 178.83 4.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.693 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.421 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 7.6 t80 -61.49 -29.85 70.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.218 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -59.68 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.931 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -63.93 -29.99 71.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.165 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.453 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.57 -42.0 91.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.957 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.453 HD22 ' CE2' ' A' ' 153' ' ' PHE . 1.6 mm? -51.44 -31.93 24.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -87.08 -38.07 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.244 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.42 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -52.02 -25.6 8.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 9.7 mmt -79.51 -73.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.011 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 43.5 mttt . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.12 -179.852 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -95.43 0.01 52.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.584 0.231 . . . . 0.0 111.321 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.28 -28.24 14.15 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 110.794 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.84 -22.25 35.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.1 p -69.91 -31.52 69.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -58.64 -48.37 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.724 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.79 -25.01 59.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 150' ' ' TYR . 58.5 t80 -61.52 -54.17 46.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -53.65 -39.95 65.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.3 mmt -54.3 -25.87 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -85.13 -9.62 57.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.38 136.73 35.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.74 0.305 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -107.14 -41.76 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.056 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -101.16 5.63 42.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.556 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.32 80.51 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.673 0.273 . . . . 0.0 111.63 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -127.57 -1.78 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.623 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.59 -14.78 61.72 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.443 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CZ ' ' OD1' ' A' ' 149' ' ' ASP . 37.6 m-85 -133.49 154.03 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.746 0.307 . . . . 0.0 110.344 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . 0.41 HD12 ' CE1' ' A' ' 101' ' ' PHE . 5.4 mt -108.69 140.81 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.167 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -117.9 176.77 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.69 -36.4 78.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.58 -35.51 80.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -60.44 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -16.87 46.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.251 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -76.78 -52.3 9.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.675 0.274 . . . . 0.0 111.359 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.9 pt -56.21 -42.58 73.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.511 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -29.53 67.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.128 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.37 -45.65 45.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -27.26 69.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.42 -5.82 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.701 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.9 p -66.64 -173.5 0.23 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -99.76 -10.75 45.8 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.859 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -113.28 -178.38 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.0 p -111.34 126.35 54.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.424 HG23 HD11 ' A' ' 128' ' ' ILE . 30.9 mm -121.15 143.74 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.5 t -80.34 164.24 23.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -31.6 69.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -48.89 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.11 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -59.25 -40.86 87.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.041 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 34.1 mt -69.26 -26.26 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.29 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -81.43 -28.72 34.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.057 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.06 -25.08 65.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.44 -47.69 81.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.091 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -38.1 87.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.021 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -57.57 -41.62 81.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.411 ' O ' ' CZ ' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -99.46 23.52 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.197 -179.783 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.429 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -132.61 -37.65 0.26 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.274 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.94 112.34 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -36.71 15.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.99 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -82.79 -9.49 59.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.1 t30 57.29 24.44 9.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.404 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -74.8 -16.22 60.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.712 0.292 . . . . 0.0 111.277 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 110.73 -3.08 28.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.012 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -143.75 155.82 44.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.456 HG22 ' CD2' ' A' ' 153' ' ' PHE . 22.7 mt -108.72 133.45 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.3 t70 -103.82 178.7 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.584 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.453 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 31.4 t80 -73.17 -19.98 60.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.384 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -56.74 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.722 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.75 -40.63 69.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.946 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.532 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -59.23 -23.31 62.21 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.062 -179.576 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -30.35 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.719 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -34.56 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.429 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -51.63 -26.43 8.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.845 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.3 tpp -83.83 -72.74 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.558 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.487 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -99.52 5.67 46.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.588 0.232 . . . . 0.0 111.39 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -102.05 -29.53 11.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.68 -20.39 55.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.003 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -50.95 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 110.604 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -37.99 74.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.518 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.16 -30.61 49.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -58.85 -39.86 82.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -62.13 -42.53 99.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.745 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtt -55.12 -30.51 59.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -77.82 -27.49 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.679 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -87.24 148.52 25.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . 0.437 ' HG3' HG13 ' A' ' 119' ' ' ILE . 5.3 mmmt -116.17 -45.15 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.027 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -76.67 -2.09 31.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.789 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.65 63.28 2.23 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.913 0.387 . . . . 0.0 111.402 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -122.02 -27.77 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.8 0.28 17.57 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.677 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -137.76 148.99 46.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.368 . . . . 0.0 110.645 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.4 mt -110.14 129.89 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.295 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.31 179.67 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -76.64 -26.96 55.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.66 -57.45 3.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.932 0.396 . . . . 0.0 111.091 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.7 tp -49.8 -27.37 4.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -76.51 -21.62 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.259 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . 0.437 HG13 ' HG3' ' A' ' 106' ' ' LYS . 29.2 mm -66.07 -58.63 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.967 0.413 . . . . 0.0 111.176 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.8 ttp -54.31 -24.06 17.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.45 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.9 mp -79.89 -45.2 19.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.14 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -69.14 -43.69 73.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.977 0.418 . . . . 0.0 110.589 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.01 69.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.043 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.54 166.76 22.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.99 10.77 69.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.848 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.39 164.44 14.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -119.35 100.78 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.87 143.16 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.8 t -83.09 170.65 14.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.78 -30.89 67.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.774 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.8 -48.47 81.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.25 -35.68 70.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . 0.443 HG23 HD13 ' A' ' 133' ' ' ILE . 42.3 mt -66.58 -42.5 90.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -50.9 68.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.0 -29.79 71.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -30.37 68.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.007 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 37.3 mmm -82.49 -33.49 28.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.66 -24.75 67.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -96.88 1.76 50.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.597 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.424 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -123.11 -29.85 1.17 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.553 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.31 97.38 6.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.703 0.287 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -80.96 -34.02 33.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.97 -4.88 59.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.181 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.7 m120 52.27 27.32 4.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.458 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.87 -34.86 62.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.042 0.449 . . . . 0.0 110.538 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 127.94 -0.61 6.68 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.825 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -143.88 162.29 36.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.468 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 50.2 mt -108.19 125.91 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.226 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.2 p30 -103.69 164.62 11.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.973 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.456 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 27.5 t80 -59.52 -20.97 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.295 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.81 -59.26 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.038 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.02 -30.67 65.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.58 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.468 ' CD2' ' CG2' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -68.28 -35.34 77.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.984 0.421 . . . . 0.0 110.575 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.456 ' CD2' ' CE1' ' A' ' 150' ' ' TYR . 0.1 OUTLIER -49.27 -38.91 28.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -75.92 -28.1 57.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.424 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.54 -26.79 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.91 -1.35 14.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.644 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 121.242 0.544 . . . . 0.0 109.749 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 111.588 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.51 -31.94 60.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.702 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -24.84 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.94 -16.71 60.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.234 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' SER . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 15.2 t -60.76 -42.9 98.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -59.51 -41.33 89.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 1.6 mm? -61.81 -25.59 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.023 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 150' ' ' TYR . 11.3 t80 -60.78 -44.2 97.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -57.68 -39.49 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.8 mtm -56.78 -29.81 63.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -23.11 41.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.2 146.23 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -40.9 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.044 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -91.68 4.1 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.604 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.66 67.97 0.69 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.853 0.359 . . . . 0.0 111.38 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -119.98 -6.8 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.488 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.73 -13.8 66.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.543 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 26.2 m-85 -133.85 144.28 48.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.686 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.82 135.76 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -112.02 -178.86 3.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.7 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -29.99 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.22 -51.76 58.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.33 -48.14 77.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.02 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 41.2 mt -53.5 -29.85 38.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -77.84 -22.64 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.4 mt -85.88 -57.9 3.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.8 ttp -52.76 -28.32 21.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 60.0 mt -83.28 -27.95 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -27.53 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.73 -7.92 59.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.644 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.0 p -74.73 -172.06 1.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.822 0.344 . . . . 0.0 110.978 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.34 -5.91 22.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.925 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -100.4 178.39 4.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.1 p -109.62 127.5 54.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.8 mp -133.04 128.73 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.042 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 t -79.37 176.81 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.981 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.51 -31.55 67.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.65 -49.67 70.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -34.74 59.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.1 mt -72.61 -40.14 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.29 -45.39 88.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.73 -29.83 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -45.65 92.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -34.46 72.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -27.71 65.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -73.97 -10.02 59.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.382 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLY . . . . . 0.452 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.84 -23.18 2.31 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.832 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.25 88.14 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.966 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -75.2 -31.84 61.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.719 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -89.68 -5.93 56.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.0 m120 52.2 37.11 21.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.638 0.256 . . . . 0.0 111.555 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -84.87 3.45 37.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.387 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.57 -12.12 69.43 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.71 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -140.9 157.2 45.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.452 HG23 ' CD2' ' A' ' 153' ' ' PHE . 59.4 mt -109.11 125.84 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.299 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.2 p30 -103.39 170.89 7.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.692 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' TYR . . . . . 0.422 ' HB2' ' CD2' ' A' ' 101' ' ' PHE . 17.4 t80 -60.47 -21.3 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.356 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.49 -58.48 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.083 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' GLU . . . . . 0.424 ' HG3' HG21 ' A' ' 148' ' ' ILE . 11.4 pt-20 -74.44 -30.41 61.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.859 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.2 OUTLIER -65.98 -33.2 75.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.583 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 150' ' ' TYR . 0.2 OUTLIER -50.24 -30.29 11.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.4 -25.46 42.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' PHE . . . . . 0.452 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.65 -18.95 34.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.175 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.24 20.63 16.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.831 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.189 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.843 0.354 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 p -99.25 -39.54 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.26 -48.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m -84.94 110.4 18.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.0 tpt -158.73 130.25 6.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.7 tttt 60.76 -174.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -96.9 164.07 12.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.1 120.41 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.5 t -125.83 78.91 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -178.32 0.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.95 -112.96 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -88.99 115.37 26.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.852 0.358 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.3 t -111.65 -168.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -56.91 -50.67 71.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.965 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -44.51 -29.49 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.432 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -56.15 -30.42 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.36 -14.5 62.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.1 p -59.92 -34.21 72.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.813 0.34 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -69.52 -30.29 68.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -80.55 -30.82 37.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.426 ' CE2' ' HB2' ' A' ' 150' ' ' TYR . 15.7 t80 -65.72 -43.24 89.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.06 -34.0 75.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.805 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.5 mmm -58.52 -36.51 73.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -71.01 -23.13 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.054 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.38 145.82 24.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.721 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.66 -38.02 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -97.2 3.33 51.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.416 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.92 67.64 0.87 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.818 0.342 . . . . 0.0 111.496 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -116.47 -8.11 11.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.343 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.99 -16.99 59.16 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.614 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.78 140.13 52.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.659 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.406 HD12 ' CE2' ' A' ' 153' ' ' PHE . 18.3 mt -108.56 135.17 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.18 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -108.09 -179.71 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.4 mp -65.71 -32.72 74.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.057 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -73.33 -40.05 64.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -68.38 -60.48 2.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.93 -27.62 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.21 -38.99 86.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.044 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 6.8 mt -61.28 -45.87 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -63.14 -29.3 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.27 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 18.9 mt -77.89 -49.02 15.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.253 -179.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -58.61 -42.43 88.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.085 0.469 . . . . 0.0 110.615 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.74 30.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.711 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 20.9 p -59.63 172.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.46 -11.42 82.02 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.864 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.42 -178.29 3.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.05 123.92 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.404 HD11 HG23 ' A' ' 128' ' ' ILE . 26.9 mm -114.26 139.89 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.25 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.1 m -86.58 170.06 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.693 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -64.81 -38.39 90.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.918 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.52 -45.36 91.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.91 -40.39 95.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 13.1 mt -64.28 -40.46 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -69.84 -33.0 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.57 -29.92 68.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.04 -36.25 69.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.3 mmt -63.53 -56.06 19.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -63.15 -23.99 67.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 3.6 m-20 -80.86 -15.25 56.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.451 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.452 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -122.53 -4.88 8.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.861 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -101.86 93.23 5.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -30.37 27.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -86.68 -3.65 59.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.285 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 45.96 42.01 8.77 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.777 0.322 . . . . 0.0 111.596 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -86.26 -34.37 20.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.982 0.42 . . . . 0.0 110.566 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 130.06 -4.89 6.05 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.743 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -149.68 160.8 43.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.461 HG23 ' CD2' ' A' ' 153' ' ' PHE . 28.2 mt -108.62 128.75 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.184 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.489 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.5 p30 -102.86 167.55 9.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.448 ' CZ ' HD12 ' A' ' 154' ' ' LEU . 88.8 t80 -56.45 -28.25 59.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.76 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.25 -60.23 2.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.754 0.311 . . . . 0.0 111.233 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.402 ' HG3' HG21 ' A' ' 148' ' ' ILE . 14.5 pt-20 -71.33 -27.47 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.855 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.3 OUTLIER -72.55 -35.48 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.719 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.448 HD12 ' CZ ' ' A' ' 150' ' ' TYR . 1.6 tp -52.24 -41.19 62.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.799 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.42 -27.41 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.734 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.452 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.07 -50.07 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.7 mmt -80.95 0.25 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.59 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -98.75 41.65 1.13 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.079 0.466 . . . . 0.0 110.024 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 116.32 123.22 3.5 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.79 35.64 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.862 0.363 . . . . 0.0 111.204 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.907 0.384 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.5 82.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.45 -38.98 3.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.16 171.76 13.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 43.8 ttm 59.91 63.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.69 -62.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.799 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.97 127.51 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.64 161.74 30.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.98 -71.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -57.27 147.89 24.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.51 -96.98 2.0 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.8 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 73.98 6.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 111.252 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -85.25 -92.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.028 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -100.77 -37.58 8.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.232 0.539 . . . . 0.0 110.758 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -56.54 -23.73 42.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.8 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -73.22 -25.81 60.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.995 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.9 mt -53.28 -24.16 10.83 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.384 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.5 t -68.63 -32.75 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.724 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -44.32 67.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -27.95 61.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.438 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 69.6 t80 -56.62 -42.12 78.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.994 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.8 mmt-85 -60.15 -36.04 76.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 41.6 mmm -54.93 -35.23 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -73.92 -20.91 60.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.41 136.98 32.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 31.4 tptt -107.69 -50.14 3.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -89.54 6.42 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.518 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.96 70.15 0.43 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.822 0.344 . . . . 0.0 111.386 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -116.98 -3.18 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.509 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.4 -5.9 67.95 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.637 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 29.2 m-85 -143.95 163.28 33.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.755 0.312 . . . . 0.0 110.786 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.438 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 1.9 mp -117.72 125.44 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.075 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -107.18 178.23 4.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 20.5 mt -63.46 -34.87 78.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.971 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -73.09 -23.1 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.235 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.39 -55.42 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 52.8 tp -50.51 -29.75 11.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.392 -179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.62 -20.21 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.139 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 22.6 mm -74.64 -54.77 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.811 0.339 . . . . 0.0 111.066 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -53.74 -26.0 21.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.326 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.07 -33.43 22.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.953 -179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -69.12 -30.05 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -24.65 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.281 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.5 p -58.33 174.32 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.62 9.76 75.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.841 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -114.99 -177.24 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.321 . . . . 0.0 110.771 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 82.6 p -121.29 115.06 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.782 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 24.7 mm -113.14 158.29 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 4.3 t -94.95 163.78 13.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.16 -24.77 62.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -55.49 11.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.929 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -54.29 -37.07 64.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.074 -179.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 19.2 mt -72.73 -28.35 27.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.095 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -70.93 -45.03 64.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -60.63 -30.89 70.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.01 -31.11 69.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.962 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -70.31 -37.76 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -71.35 -28.87 64.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.02 -3.32 44.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.488 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.408 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.96 -27.18 1.58 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.661 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.33 93.48 9.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -62.25 -23.81 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.045 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.24 10.36 18.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.219 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 48.88 38.39 12.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.708 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.34 -6.37 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.63 0.252 . . . . 0.0 111.46 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.81 -16.02 55.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.725 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -131.68 144.15 50.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 46.9 mt -110.0 131.88 59.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.601 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.405 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.2 p30 -103.79 178.07 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.562 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -62.66 -21.13 65.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.186 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.25 -53.12 8.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.293 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -65.93 -40.56 91.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.942 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -67.92 -24.96 65.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.104 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -39.9 70.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.808 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.41 -27.27 34.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.82 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.408 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.46 -45.59 88.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.07 4.72 36.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.481 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -99.31 35.21 1.99 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.223 0.535 . . . . 0.0 109.918 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 117.03 123.78 3.46 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.71 42.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 -179.011 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.965 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.801 0.334 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.4 t 68.96 -67.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -95.51 136.57 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.0 p -127.62 -45.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.73 108.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -110.29 -178.46 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.88 132.38 39.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.21 -77.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.787 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t -125.98 170.48 11.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.658 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -171.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.39 -143.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.664 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -68.63 113.72 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.94 -156.53 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.686 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.22 -4.94 32.4 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.476 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.82 -29.87 35.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.813 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.07 -20.72 62.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.9 -23.07 17.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.282 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.3 p -65.79 -46.94 76.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.88 0.371 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.16 -41.52 88.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.58 -30.02 62.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.19 -46.46 88.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -58.87 -35.72 73.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.1 mmt -58.18 -29.85 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.425 ' CE1' ' HG3' ' A' ' 120' ' ' MET . 4.6 m-85 -79.73 -23.75 42.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -90.09 141.05 29.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.767 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -114.25 -44.6 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -85.19 1.09 49.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.451 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.16 71.19 0.34 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.812 0.339 . . . . 0.0 111.464 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -123.05 -1.17 8.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.497 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.76 -11.91 71.04 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.693 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -136.01 145.74 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 0.0 110.708 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.2 mt -108.51 128.07 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.167 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -107.45 -175.95 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 tp -66.75 -31.88 72.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.16 -56.56 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.028 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.32 -49.53 76.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 26.7 tp -57.33 -37.42 72.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.998 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 13.7 tttt -54.18 -22.72 12.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.511 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.444 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 23.9 mt -82.41 -32.14 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.017 0.437 . . . . 0.0 111.345 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.425 ' HG3' ' CE1' ' A' ' 104' ' ' PHE . 6.4 tmm? -53.19 -40.82 64.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.153 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.416 ' N ' HD11 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -95.53 -18.79 20.33 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.444 ' HG2' ' HA ' ' A' ' 119' ' ' ILE . 4.0 pt20 -79.46 -45.85 18.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.78 0.324 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 122' ' ' GLN . . . -59.37 -30.84 68.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.302 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 71.5 p -68.08 170.59 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.39 7.68 79.9 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.896 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -94.8 173.09 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.2 p -119.24 108.46 14.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.411 ' N ' ' CD1' ' A' ' 128' ' ' ILE . 3.2 mp -119.57 142.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -97.62 -175.46 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.56 8.92 17.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.475 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.65 -53.75 4.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.844 0.354 . . . . 0.0 110.62 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -30.64 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.041 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.7 mt -72.18 -54.06 17.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -55.07 -28.91 55.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.216 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.06 15.49 15.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -101.81 -31.91 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 2.7 mtp -83.79 -39.55 19.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.838 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -58.3 -30.14 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -81.84 -5.71 58.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.327 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.06 -3.23 8.99 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.783 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.49 93.37 6.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.819 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -77.11 -37.39 54.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -86.88 -2.79 58.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.299 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 51.59 28.42 4.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.475 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -70.05 -36.47 75.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.796 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 124.69 3.31 7.8 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.88 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -150.55 161.07 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.778 0.323 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.45 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 55.6 mt -108.79 127.45 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -103.64 173.96 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.457 ' CE1' ' CD1' ' A' ' 154' ' ' LEU . 73.7 t80 -57.58 -28.06 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.182 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -55.0 7.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.455 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -64.61 -38.32 90.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.218 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.45 ' CD2' ' CG2' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -70.9 -29.15 65.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.457 ' CD1' ' CE1' ' A' ' 150' ' ' TYR . 1.2 mp -59.68 -43.61 93.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.47 -31.96 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.724 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.87 -29.95 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 15.8 mmt -105.19 1.52 28.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.5 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 36.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.025 0.44 . . . . 0.0 110.132 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 109.19 115.02 3.75 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.52 53.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.003 0.43 . . . . 0.0 110.999 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mtm . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.76 0.314 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.9 m -76.94 161.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 60.19 101.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.014 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.5 p -152.07 -46.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.4 ttp -162.78 142.06 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.89 -47.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.25 93.62 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -132.37 -79.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -126.58 28.55 5.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.095 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -90.76 65.45 5.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.12 168.56 50.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.124 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -119.42 31.39 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.088 0.47 . . . . 0.0 111.172 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -117.23 -52.98 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.625 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -81.81 -30.05 32.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.657 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -95.84 -8.37 34.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.001 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -89.85 -27.52 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 36.8 mt -58.1 -20.84 43.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -65.24 -46.45 80.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.81 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.92 -39.26 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.619 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.96 -28.88 64.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.748 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -62.18 -48.62 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -59.35 -40.18 85.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.794 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -30.22 59.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.64 -19.62 55.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.39 142.09 28.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.652 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -40.07 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.079 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -103.71 11.89 35.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.491 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.8 75.36 0.11 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.558 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -120.5 -6.13 9.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.655 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.62 -10.86 68.75 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.615 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.412 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 18.6 m-85 -137.75 153.08 49.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.721 0.296 . . . . 0.0 110.618 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.9 mt -108.46 131.09 59.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 111.042 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -110.56 173.73 6.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.853 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.1 mp -62.06 -35.93 80.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -29.87 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.173 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -85.54 -47.18 10.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.9 tp -55.73 -41.18 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -59.77 -33.54 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 22.9 mt -72.32 -46.99 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.016 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 9.2 tmm? -53.43 -30.95 43.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.5 mt -76.36 -33.05 58.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -68.99 -25.04 64.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.26 -30.96 71.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.6 p -69.25 168.68 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -89.81 11.88 69.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.748 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -110.54 177.47 4.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.4 p -112.42 124.81 53.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.4 mm -120.0 140.6 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.7 t -97.6 -179.1 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.49 -27.69 67.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.999 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.82 -53.9 51.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.08 -37.96 78.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 17.6 mt -64.69 -48.04 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.84 -31.13 67.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.89 -44.57 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.1 -30.41 69.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.76 -46.03 33.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -27.54 68.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -77.77 -9.67 59.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.456 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.418 ' HA3' ' CD2' ' A' ' 156' ' ' PHE . . . -123.1 -24.62 1.99 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.744 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.0 92.08 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.351 . . . . 0.0 111.158 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.57 -37.26 43.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.712 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -89.36 -5.06 57.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.291 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.69 31.6 6.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.756 0.313 . . . . 0.0 111.402 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -83.36 1.36 41.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.429 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.29 -12.9 67.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.918 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -140.56 151.23 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.428 HG23 ' CD2' ' A' ' 153' ' ' PHE . 19.0 mt -108.89 132.48 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.241 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.8 p30 -103.46 178.93 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.71 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -69.59 -19.72 63.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.703 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.37 -56.86 4.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.763 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -70.76 -37.16 73.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.634 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.484 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.3 OUTLIER -64.83 -29.2 70.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.806 0.336 . . . . 0.0 110.907 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -32.55 29.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.615 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -83.64 -27.51 29.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.418 ' CD2' ' HA3' ' A' ' 140' ' ' GLY . 1.6 t80 -51.31 -31.25 20.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.509 ' O ' ' N ' ' A' ' 159' ' ' GLY . 0.2 OUTLIER -78.54 -72.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.18 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -61.81 69.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.127 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 117.65 88.14 1.28 Allowed Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.236 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.4 t -95.99 41.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 111.12 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.2 t 69.17 -65.63 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.15 -54.67 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.6 t 59.83 114.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 111.045 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 ttt -89.31 136.32 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.771 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -127.32 -66.89 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.043 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -75.83 122.52 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.14 148.6 52.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.5 m -67.28 100.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.97 -171.02 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -101.22 -126.46 5.84 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.419 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 135.46 36.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.771 0.32 . . . . 0.0 110.782 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.5 p -113.65 175.99 5.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.242 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.57 0.58 42.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.404 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -29.84 13.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.04 -32.94 68.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.924 0.392 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.4 mt -64.78 -27.28 68.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.084 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -51.02 62.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.05 -28.43 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.76 -30.38 21.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CZ ' HD12 ' A' ' 112' ' ' ILE . 18.0 t80 -63.84 -43.08 97.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.912 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -56.66 -36.69 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.4 mtt -56.25 -28.0 57.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -88.14 -10.76 48.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.381 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 136.05 44.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.749 0.309 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -115.87 -40.05 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -80.89 0.34 35.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.699 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.15 59.01 4.85 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.934 0.397 . . . . 0.0 111.289 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -120.63 -7.12 9.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.601 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.71 -14.13 64.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.689 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -125.28 148.82 48.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.728 0.299 . . . . 0.0 110.721 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.429 HD12 ' CZ ' ' A' ' 101' ' ' PHE . 2.4 mp -115.65 127.39 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.237 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.9 178.65 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.962 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.51 -39.92 89.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -38.02 72.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.03 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -69.34 -62.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 15.0 tp -49.13 -27.97 3.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.18 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 24.7 mttm -59.55 -29.1 67.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.045 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.3 mt -81.66 -41.22 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.407 ' CE ' ' N ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -53.99 -44.15 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.407 ' N ' ' CE ' ' A' ' 120' ' ' MET . 2.9 pp -72.32 -34.93 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -28.08 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.52 -28.46 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.293 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.4 p -72.82 -178.14 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -110.3 13.71 30.84 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.628 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -103.76 177.85 4.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.4 p -110.01 123.38 49.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.1 mm -122.35 134.35 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.2 t -86.02 172.19 10.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.84 -36.22 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.57 -47.41 86.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -58.61 -38.58 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 19.9 mt -70.48 -47.07 67.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -58.95 -48.0 83.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.034 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.35 -31.44 71.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -31.83 72.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -44.33 65.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.16 -29.07 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.976 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -82.18 -6.76 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.371 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.445 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.07 -2.38 9.25 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.728 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.34 102.72 12.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.762 0.315 . . . . 0.0 110.801 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -84.03 -36.77 22.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -83.82 -7.7 59.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.235 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 52.35 26.73 4.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.524 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -69.93 -36.12 75.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.702 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 131.66 -0.54 5.04 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.851 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.37 161.26 42.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.826 0.313 . . . . 0.0 110.798 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.445 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 28.6 mt -108.7 127.81 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.27 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -103.68 179.64 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.685 179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.448 ' CE1' ' CD1' ' A' ' 154' ' ' LEU . 13.5 t80 -60.93 -29.06 69.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.279 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.84 -54.83 10.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.043 0.449 . . . . 0.0 110.402 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 -65.02 -41.62 95.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.405 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.445 ' CD2' ' CG2' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -69.05 -26.25 64.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.721 0.296 . . . . 0.0 111.028 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.448 ' CD1' ' CE1' ' A' ' 150' ' ' TYR . 0.8 OUTLIER -59.41 -37.02 76.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.542 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.27 -29.85 48.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.723 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.445 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.24 -18.06 23.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.288 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.38 17.85 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.702 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -76.31 15.61 0.56 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 119.99 -9.24 11.35 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.261 -0.971 . . . . 0.0 113.728 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 156' ' ' PHE . 35.4 m -46.63 -43.12 5.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.13 0.465 . . . . 0.0 111.415 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.948 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.772 0.32 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.7 t 69.8 -64.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.194 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.45 101.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -117.84 104.85 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.738 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.1 mtt -91.94 97.16 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.72 -167.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -93.06 -160.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.742 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -50.96 177.22 0.01 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.706 0.289 . . . . 0.0 111.189 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.0 p -113.39 -30.09 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.237 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.69 134.37 43.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.74 28.77 5.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -82.25 59.78 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.01 0.433 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 p -113.41 -148.95 0.44 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.41 -3.91 23.49 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.658 0.266 . . . . 0.0 111.577 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.54 -28.99 16.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -26.86 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.016 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 2.0 mt -55.43 -23.15 23.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m -61.17 -37.05 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.789 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -36.73 85.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.7 mt -77.16 -31.4 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.423 ' CZ ' HD13 ' A' ' 112' ' ' ILE . 35.3 t80 -59.96 -43.3 95.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -55.63 -38.84 70.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mmt -55.63 -25.02 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -83.91 -22.07 31.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.042 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.17 138.32 36.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.704 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -107.96 -36.41 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -101.04 6.11 43.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.545 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.34 75.3 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.746 0.308 . . . . 0.0 111.36 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -121.57 -3.73 9.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.534 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.68 -17.04 59.4 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.403 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 27.8 m-85 -134.12 142.88 47.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.808 0.337 . . . . 0.0 110.69 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.423 HD13 ' CZ ' ' A' ' 101' ' ' PHE . 3.7 mp -108.62 135.44 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -107.73 -179.69 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.15 -29.32 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.085 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.06 -55.04 11.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.078 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -58.73 -50.7 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 38.4 tp -50.24 -27.75 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.192 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -64.93 -31.86 73.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 4.3 mt -75.68 -44.29 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.032 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.51 -35.93 54.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -81.89 -31.32 31.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -27.87 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.72 -32.71 71.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.4 p -75.5 171.61 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -93.58 19.85 50.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.703 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -104.06 171.07 7.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.25 113.18 19.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 4.3 mt -126.03 141.15 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.5 t -85.51 167.32 15.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -67.14 -23.4 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.54 -57.7 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.49 -36.76 69.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 20.7 mt -71.18 -30.65 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.9 -50.6 33.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.84 -31.02 69.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 86.9 mmm -80.66 -40.56 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -25.45 63.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -89.79 10.06 24.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.428 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.425 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -123.56 -34.19 0.77 Allowed Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.309 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.08 96.97 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -72.7 -29.22 63.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -96.62 2.8 52.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.386 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 54.97 24.31 5.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.725 0.298 . . . . 0.0 111.274 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.62 -16.3 60.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.396 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.25 -4.29 67.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.756 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -142.3 154.88 45.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 0.0 110.631 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 61.2 mt -109.14 128.04 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.973 0.416 . . . . 0.0 111.467 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.403 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.3 p30 -103.08 172.95 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.502 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.42 ' CZ ' HD22 ' A' ' 154' ' ' LEU . 36.3 t80 -57.32 -24.26 53.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.234 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -53.72 7.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.979 0.418 . . . . 0.0 110.379 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.56 -37.59 85.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.213 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.27 -25.85 63.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.679 0.276 . . . . 0.0 111.051 -179.743 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.42 HD22 ' CZ ' ' A' ' 150' ' ' TYR . 0.1 OUTLIER -61.52 -43.28 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.92 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -71.86 -32.63 67.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.425 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -56.81 -38.55 72.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.028 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.49 0.7 42.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.479 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.55 39.94 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.059 0.456 . . . . 0.0 110.019 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 114.0 120.98 3.6 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.34 42.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.926 0.393 . . . . 0.0 111.131 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.861 0.362 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.36 -46.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -144.64 -66.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.46 -55.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 16.6 mmt -78.63 177.39 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.4 mttp 59.77 67.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.761 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -118.87 -67.4 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.65 174.58 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.96 -150.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 72.16 6.3 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.868 0.366 . . . . 0.0 110.576 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.23 141.66 37.3 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.847 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -93.09 88.51 6.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.878 0.37 . . . . 0.0 110.783 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 17.2 p -113.06 -158.21 0.64 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -6.96 41.12 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.458 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -88.66 -32.09 18.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.831 0.348 . . . . 0.0 110.97 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -24.21 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.5 mt -62.58 -15.61 52.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.429 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.423 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 82.9 p -69.63 -34.57 74.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.48 -38.63 81.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.92 -12.46 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.375 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 150' ' ' TYR . 66.6 t80 -67.6 -42.72 81.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.674 0.273 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -59.53 -31.71 69.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 32.2 mtt -57.42 -31.41 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.973 0.416 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.04 -18.44 53.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.115 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.12 146.14 25.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.829 0.347 . . . . 0.0 110.817 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -115.91 -45.56 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -82.92 -0.11 46.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.528 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.67 57.51 6.55 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.887 0.375 . . . . 0.0 111.413 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -105.59 -11.59 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.409 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.11 -9.84 58.11 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.694 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -138.49 154.13 48.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 110.724 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.423 HD12 ' CZ ' ' A' ' 101' ' ' PHE . 1.8 mp -108.32 134.16 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.192 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -111.81 176.42 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.797 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.36 -29.85 69.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.063 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.58 -28.29 65.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.175 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.5 -43.01 10.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 111.008 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 tp -53.52 -25.19 15.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.263 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 6.9 ptmt -84.36 -23.86 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.203 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.8 mt -66.21 -57.84 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 111.129 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -56.04 -29.25 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.4 mt -75.24 -38.99 60.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.826 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -66.3 -29.89 70.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.43 -22.84 66.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.324 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.2 p -63.81 -169.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -111.7 6.14 27.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.84 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -108.32 178.19 4.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.756 0.312 . . . . 0.0 110.964 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.1 p -105.12 131.81 52.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.2 mp -127.79 131.42 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.0 t -87.39 176.15 7.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.752 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.02 -32.65 72.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -47.74 81.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -54.66 -44.52 73.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.082 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 44.0 mm -58.08 -34.08 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -70.33 -55.19 9.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.096 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.41 -36.75 78.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.11 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.2 tt -60.21 -41.8 93.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.824 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.35 -36.22 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -29.6 69.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 1.2 t0 -69.21 -12.24 61.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.388 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.449 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.24 -22.58 2.58 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.696 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.01 83.21 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.868 0.366 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -79.22 -37.73 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -82.78 -10.56 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 45.69 45.2 11.02 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.479 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -107.25 14.03 26.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.307 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.88 -17.83 58.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.885 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -145.01 157.69 44.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.839 0.352 . . . . 0.0 111.05 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.1 mt -108.31 132.56 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.286 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.6 p30 -103.22 174.31 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.423 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.475 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 23.7 t80 -62.48 -28.9 70.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 111.455 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.46 -55.94 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -76.17 -34.82 59.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.949 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.493 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -65.54 -34.15 77.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.639 0.257 . . . . 0.0 111.192 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 9.7 mt -50.54 -29.65 11.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.877 0.37 . . . . 0.0 110.791 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 158' ' ' LYS . 17.0 mt-10 -79.45 -25.38 41.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.449 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.5 OUTLIER -52.37 -25.33 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 0.0 110.687 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 19.6 mmt -101.51 24.09 10.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.186 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . 0.43 ' HB2' ' O ' ' A' ' 155' ' ' GLU . 17.2 mmtt -77.19 12.49 1.45 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 119.26 -0.87 14.48 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.357 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 36.0 m -45.84 -44.73 4.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.986 0.393 . . . . 0.0 111.519 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.958 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.7 ttm . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.754 0.311 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.29 125.2 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -136.26 114.48 11.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.1 m -105.11 -64.65 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -152.97 154.49 35.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -91.2 135.32 33.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -122.2 -34.09 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.34 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.45 44.29 1.03 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.054 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -125.25 -88.2 0.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -126.51 123.72 38.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.798 0.332 . . . . 0.0 110.967 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.64 -157.64 0.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.556 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.486 ' O ' ' HB2' ' A' ' 96' ' ' GLU . 38.3 mttm -119.32 61.31 0.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.577 ' HA ' ' HB2' ' A' ' 96' ' ' GLU . 66.2 m -68.96 -27.49 65.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.909 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.77 -38.19 89.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.299 0.571 . . . . 0.0 110.336 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.13 -24.43 14.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.833 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.577 ' HB2' ' HA ' ' A' ' 93' ' ' THR . 3.9 mm-40 -71.01 -25.09 62.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.37 -10.74 59.63 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.55 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.0 p -70.78 -51.39 27.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 111.275 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -56.32 -39.48 72.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.34 -22.05 66.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.325 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.426 ' HA ' ' CE2' ' A' ' 153' ' ' PHE . 44.3 t80 -60.96 -50.3 73.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.22 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -31.34 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.186 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -30.97 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.994 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -25.1 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.269 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.46 138.43 31.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.912 0.387 . . . . 0.0 110.995 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -105.11 -44.91 4.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -89.19 7.82 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.364 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 40.65 96.01 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -141.11 -40.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.276 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 136.77 -11.91 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.51 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -135.7 154.22 51.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.781 0.324 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 5.2 mt -108.9 118.96 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.119 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.85 177.41 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.45 -35.64 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.113 -179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.45 -46.94 88.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.034 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.36 -48.57 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 18.2 mt -63.85 -40.21 96.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -27.59 66.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.6 mt -89.36 -43.36 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.236 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 11.6 ttp -64.0 -26.59 68.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.347 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 12.2 mt -84.78 -49.99 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.207 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -58.58 -43.71 89.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.015 0.436 . . . . 0.0 110.55 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.01 -23.16 18.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.518 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 6.7 p -75.28 177.9 6.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.844 0.354 . . . . 0.0 110.758 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.28 15.5 62.01 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.706 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -115.22 165.03 13.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.323 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.8 p -108.23 126.05 52.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.0 mp -128.31 133.91 65.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.136 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.9 p -76.57 163.46 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.991 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -31.14 72.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.11 -41.69 99.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.33 -39.86 80.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 34.7 mm -60.54 -29.24 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.66 -45.72 42.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -70.51 -27.44 64.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -57.02 -44.13 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.056 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -74.69 -28.19 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.99 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.77 -29.64 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.68 -11.45 60.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.465 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.427 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.89 -22.22 2.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.955 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.95 89.55 4.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.876 0.369 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -73.92 -32.31 63.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.734 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -90.3 -1.62 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m120 62.82 17.39 9.87 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.607 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.76 -30.72 71.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.387 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.5 45.91 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -140.31 156.53 46.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 50.4 mt -108.93 116.2 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.23 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -103.91 179.78 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 62.2 t80 -51.99 -28.56 17.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.334 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.49 -55.18 6.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.836 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -60.12 -27.3 66.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.057 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.426 ' CE2' ' HA ' ' A' ' 101' ' ' PHE . 7.7 t80 -65.52 -29.94 70.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -76.0 -41.34 51.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.02 -46.49 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.427 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.4 OUTLIER -45.3 -28.7 0.87 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.406 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 159' ' ' GLY . 18.7 tpp -79.38 -69.82 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.59 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -62.74 66.34 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.337 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 115.3 89.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.202 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.4 t -92.21 -44.27 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.048 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.814 0.34 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.0 p -93.68 138.01 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -150.08 118.99 6.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m -166.56 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -31.12 70.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -103.41 51.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.99 170.35 16.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -105.45 25.91 10.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.7 p -125.96 145.38 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -125.57 167.79 14.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.48 -175.59 31.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.384 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.18 84.18 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.399 . . . . 0.0 110.841 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.3 t -113.66 -158.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -69.45 -8.34 45.95 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.403 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -73.93 -29.8 62.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.375 . . . . 0.0 110.571 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -25.0 58.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 26.4 mt -57.49 -20.64 32.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.363 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.5 p -60.66 -41.37 94.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -37.89 89.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.751 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.12 -28.93 63.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -60.16 -50.63 72.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -60.84 -34.66 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.72 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.72 66.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.727 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.42 ' CE2' ' HG3' ' A' ' 120' ' ' MET . 7.3 m-85 -80.17 -18.63 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 147.15 25.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.7 tmtt? -110.66 -41.98 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -89.97 7.73 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.636 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.37 68.0 0.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.923 0.392 . . . . 0.0 111.628 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -120.63 -30.28 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.88 -6.97 17.48 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.526 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -128.51 142.69 50.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.749 0.309 . . . . 0.0 110.539 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.429 HD12 ' CE2' ' A' ' 153' ' ' PHE . 26.7 mt -108.75 131.96 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.323 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -115.64 -173.01 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.749 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.43 -37.69 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -63.33 -55.4 24.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -57.76 -37.5 73.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.1 tp -77.15 -12.93 60.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.355 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.4 mttp -82.85 -31.18 28.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.146 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.5 pt -75.3 -38.23 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.282 -179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.42 ' HG3' ' CE2' ' A' ' 104' ' ' PHE . 6.1 tmm? -60.99 -52.34 65.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -67.92 -43.0 80.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 -179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -63.3 -26.95 69.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.85 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.05 -23.86 67.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 21.6 p -58.49 -172.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.328 . . . . 0.0 110.903 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -109.23 13.14 33.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.762 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -120.95 -177.6 3.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 110.801 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 7.4 p -95.8 129.34 43.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 20.6 mm -133.5 120.95 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.099 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.7 t -80.96 171.53 14.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.66 -20.12 65.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.368 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.13 -60.32 2.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.767 0.318 . . . . 0.0 111.133 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -29.02 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.352 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.7 mt -85.67 -11.81 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -88.91 -37.9 14.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.783 0.325 . . . . 0.0 111.059 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.65 -35.33 77.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.133 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.49 -31.89 69.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.003 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.2 mmt -65.7 -40.79 92.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.964 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -72.36 -30.2 64.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.424 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 2.0 m-20 -68.36 -17.31 64.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.271 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.448 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.58 -19.66 3.06 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.83 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -81.85 94.96 7.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -81.89 -29.37 32.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -84.9 -5.09 59.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.377 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 49.24 27.96 2.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 111.532 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -81.84 -31.22 31.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.707 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 126.33 -7.19 7.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.73 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -140.83 151.93 44.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.799 0.333 . . . . 0.0 110.753 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.419 HG22 ' CD2' ' A' ' 153' ' ' PHE . 47.9 mt -108.63 134.02 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -103.78 176.81 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.776 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.467 ' CE1' ' CD1' ' A' ' 154' ' ' LEU . 63.7 t80 -61.0 -21.53 63.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -53.03 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.378 . . . . 0.0 110.416 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -67.6 -37.51 82.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.203 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.429 ' CE2' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -72.69 -27.15 61.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.154 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.467 ' CD1' ' CE1' ' A' ' 150' ' ' TYR . 1.0 OUTLIER -58.59 -36.53 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 110.623 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -76.7 -27.98 55.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.448 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -55.5 -31.88 62.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.98 20.94 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.012 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.69 17.61 0.68 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 119.62 -3.5 13.48 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.757 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 156' ' ' PHE . 20.9 m -46.07 -44.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 117.113 0.457 . . . . 0.0 111.41 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 p -110.62 153.21 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -166.12 35.78 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.3 t -150.75 136.98 18.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.1 mtt 60.17 -179.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -129.71 171.43 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -130.55 -166.92 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.66 98.81 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.774 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.2 m -115.93 -10.3 11.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.564 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -42.5 167.76 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.964 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.49 -126.94 0.45 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.932 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.38 118.35 27.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.024 0.44 . . . . 0.0 111.36 -179.361 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.68 -149.67 0.45 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.746 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -5.04 15.78 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.584 0.231 . . . . 0.0 111.596 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -88.04 -24.34 23.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.907 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -28.65 64.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.89 -25.17 18.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.246 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.3 p -74.18 -36.32 64.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.691 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -47.94 82.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.39 -23.5 66.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -63.29 -53.71 48.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.059 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -43.91 74.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.991 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 16.0 mtt -53.94 -27.29 30.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.418 ' CD2' ' CD1' ' A' ' 117' ' ' LEU . 2.5 m-85 -87.06 -13.53 44.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.372 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -97.63 143.91 27.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.802 0.334 . . . . 0.0 110.769 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -115.68 -40.14 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.204 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -81.67 1.02 36.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.695 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.74 62.56 2.4 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.911 0.386 . . . . 0.0 111.21 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -123.32 -8.83 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.651 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.78 -11.33 69.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.582 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -126.36 143.33 51.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.735 0.302 . . . . 0.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.416 HD12 ' CE2' ' A' ' 153' ' ' PHE . 28.8 mt -108.43 133.42 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.902 0.382 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.06 168.44 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -43.25 90.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -21.45 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -85.6 -58.62 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 111.039 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.418 ' CD1' ' CD2' ' A' ' 104' ' ' PHE . 20.8 tp -48.71 -28.91 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.449 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -20.04 56.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.453 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.4 mt -67.13 -59.02 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.208 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -55.32 -30.08 59.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.407 ' CD1' ' CD1' ' A' ' 133' ' ' ILE . 0.8 OUTLIER -65.94 -31.82 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -72.09 -29.25 63.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.92 -15.88 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.563 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.3 p -65.99 169.9 6.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.769 0.319 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -90.61 -4.1 70.64 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.767 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.57 -178.49 3.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.856 0.36 . . . . 0.0 110.795 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.0 p -120.15 117.84 28.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.2 mm -116.29 145.08 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.44 173.67 11.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -81.43 -31.99 32.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.41 -49.75 65.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -51.9 -37.9 54.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.407 ' CD1' ' CD1' ' A' ' 121' ' ' LEU . 29.3 mm -79.23 -40.07 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.305 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.57 -24.36 13.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.294 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.5 17.1 10.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.348 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.91 -30.18 11.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.844 0.354 . . . . 0.0 110.942 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -78.44 -43.1 28.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -41.25 87.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.402 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -89.48 8.64 30.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.321 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -126.98 0.61 7.18 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.667 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.25 106.87 13.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.802 0.334 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -75.9 -39.01 57.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -86.69 -2.67 58.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.7 p30 44.11 36.77 1.58 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.723 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -78.11 -36.47 47.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.921 0.391 . . . . 0.0 110.771 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 133.0 -7.17 5.13 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -141.21 151.73 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 23.8 mt -108.37 133.19 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.232 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.5 p30 -104.34 -176.51 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.822 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.433 ' CZ ' HD12 ' A' ' 154' ' ' LEU . 33.9 t80 -62.53 -43.08 99.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.019 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -57.45 -53.13 61.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.61 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -63.64 -50.18 70.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.399 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.416 ' CE2' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -61.16 -25.81 67.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.244 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.433 HD12 ' CZ ' ' A' ' 150' ' ' TYR . 2.4 tp -59.26 -33.99 71.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 0.0 110.782 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.87 -33.85 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.727 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.402 ' CE1' ' O ' ' A' ' 139' ' ' ASP . 5.1 t80 -54.74 -22.85 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.404 ' O ' ' N ' ' A' ' 159' ' ' GLY . 0.9 OUTLIER -73.61 -71.35 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.056 179.435 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.71 75.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 115.83 84.34 1.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.29 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 10.8 t -106.41 44.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 111.129 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.847 0.356 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.0 t 62.53 34.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -87.9 -66.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.93 -48.52 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.3 mtp -129.75 155.18 46.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -95.27 -72.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -116.27 148.77 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -98.62 117.22 32.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 p -70.79 -177.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -125.5 118.18 25.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.26 -135.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.563 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.8 96.75 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 111.025 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.0 t -112.98 -159.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.18 -6.77 36.73 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.521 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -26.95 54.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.768 0.318 . . . . 0.0 110.656 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -74.76 -24.43 58.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 15.6 mt -56.3 -21.91 27.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.6 t -68.04 -45.79 72.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 0.0 110.676 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.47 -43.25 93.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.89 -27.59 61.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.959 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.13 -41.19 98.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -59.25 -40.94 87.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.1 mmm -52.3 -29.37 23.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.75 -20.17 53.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.008 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -93.27 145.27 24.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -99.65 -34.33 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -115.08 16.35 17.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.501 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.69 72.78 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.75 0.31 . . . . 0.0 111.574 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -115.03 -14.2 11.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.414 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.25 -15.71 60.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.616 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.422 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 20.6 m-85 -130.41 139.38 50.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.766 0.317 . . . . 0.0 110.651 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.66 133.14 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -107.68 -177.4 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.77 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.07 -30.94 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.33 -60.38 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.96 -48.53 78.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.0 tp -54.71 -28.26 46.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -76.88 -30.54 56.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 46.3 mt -70.17 -53.1 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.6 ttp -56.41 -36.49 69.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 3.7 mt -74.62 -36.82 62.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.881 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -68.64 -30.02 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.682 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.04 68.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.6 p -64.43 177.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -106.36 4.55 37.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.836 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -93.28 -178.88 4.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.9 p -113.48 114.99 27.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.54 133.52 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 3.3 t -83.07 174.61 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -76.68 -34.12 58.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -49.76 72.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -56.21 -39.21 72.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 24.6 mt -71.72 -45.31 66.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.255 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.58 -50.4 73.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -28.57 70.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.418 HD22 ' CZ ' ' A' ' 156' ' ' PHE . 0.3 OUTLIER -62.6 -32.16 73.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -36.77 84.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -70.93 -28.07 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -77.97 -4.44 46.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.424 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.434 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.05 -26.45 1.69 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.563 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.86 95.29 9.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -68.7 -26.14 65.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -102.16 3.46 38.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.419 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.6 t30 46.76 37.55 4.85 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.771 0.319 . . . . 0.0 111.449 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.08 -1.39 44.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.365 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.75 -16.11 58.96 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.783 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -133.85 145.73 49.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 19.8 mt -109.27 129.49 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.226 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.422 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 56.0 p-10 -103.83 -178.72 3.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -59.05 -21.1 58.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.317 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.37 -53.15 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.336 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -67.57 -35.9 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.954 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -24.79 59.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.18 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -36.41 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.982 0.42 . . . . 0.0 110.785 179.721 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -23.62 56.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.998 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.44 ' O ' ' CG2' ' A' ' 160' ' ' VAL . 0.1 OUTLIER -68.59 -7.47 33.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.615 -179.859 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.94 12.58 9.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.684 0.278 . . . . 0.0 110.984 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -80.67 21.93 0.62 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 118.97 -18.63 10.42 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.2 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 156' ' ' PHE . 33.2 m -49.26 -37.55 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.765 0.317 . . . . 0.0 111.391 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.839 0.352 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.1 t 69.86 -63.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.29 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -71.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.058 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.82 -178.51 0.71 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.42 -172.97 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -79.19 -80.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -131.1 111.03 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.951 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -164.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -91.11 21.59 4.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.519 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 89' ' ' SER . 5.2 mmtp -51.89 -167.64 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.057 0.456 . . . . 0.0 111.667 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.1 166.85 42.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.807 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -119.52 126.5 51.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.9 m -110.96 -79.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.086 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.91 -21.7 62.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.27 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.49 10.41 41.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.305 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -102.12 -28.23 12.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.227 -179.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.403 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 17.8 mt -69.64 -14.83 63.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.344 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -51.89 19.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -34.55 73.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.78 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.41 ' O ' ' CG ' ' A' ' 103' ' ' MET . 0.8 OUTLIER -73.8 -20.48 60.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.422 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 11.6 t80 -74.2 -36.83 64.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.194 -179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -50.94 71.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.398 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.41 ' CG ' ' O ' ' A' ' 100' ' ' LEU . 17.2 ptm -52.27 -42.87 64.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 110.75 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -58.87 -29.61 67.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.679 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -87.17 143.72 27.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.659 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -107.93 -46.21 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.153 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -88.44 8.29 28.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.66 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.45 73.17 0.16 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.777 0.322 . . . . 0.0 111.541 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -124.08 -4.62 7.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.652 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.4 -4.35 73.32 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.609 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -139.59 144.06 37.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.728 0.299 . . . . 0.0 110.524 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.422 HD11 ' CZ ' ' A' ' 101' ' ' PHE . 2.5 mt -108.63 133.6 53.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.211 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -107.46 177.55 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.852 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -28.98 70.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.291 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -69.75 -61.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.103 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.28 -43.62 74.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 35.5 tp -57.28 -24.0 52.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.287 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.8 tttp -87.07 -27.32 23.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.243 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 35.7 mt -65.46 -55.08 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.19 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.93 -28.12 6.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.267 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 47.0 mt -66.27 -37.06 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.884 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.81 -29.26 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.73 -21.59 60.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.454 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.2 p -75.8 179.03 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -108.2 3.03 33.14 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.83 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.01 -177.62 3.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.354 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 70.7 p -122.68 109.06 13.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.7 mm -108.35 144.1 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.1 t -90.65 164.02 14.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.76 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -70.02 -34.52 73.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.261 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.31 -48.6 81.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -57.04 -38.16 72.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 41.8 mm -74.23 -46.53 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.224 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -52.88 -40.49 63.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.45 -27.97 63.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.62 -31.06 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.002 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -44.03 25.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -63.89 -29.56 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.414 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 5.2 t0 -92.36 -1.29 57.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.521 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.29 1.27 9.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.777 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.42 108.21 15.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.96 0.41 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . 0.403 ' HD3' ' N ' ' A' ' 142' ' ' LYS . 2.1 mppt? -85.69 -34.85 21.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.89 -179.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -83.72 -6.87 59.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.83 24.14 10.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.414 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -65.82 -37.82 87.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.98 0.419 . . . . 0.0 110.677 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.4 4.46 10.93 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.965 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -144.0 157.76 44.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.813 0.34 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 52.5 mt -108.91 126.6 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.448 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.8 p30 -103.68 170.63 7.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -65.62 -20.51 66.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.345 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.74 -58.87 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 111.075 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -69.22 -34.97 75.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.665 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.451 ' CD2' ' CG2' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -61.09 -29.3 69.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.745 0.307 . . . . 0.0 110.941 -179.783 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -35.76 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -92.89 -35.51 13.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' A' ' 139' ' ' ASP . 46.0 t80 -68.54 -45.67 71.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -2.14 38.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.93 50.76 0.96 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.195 0.522 . . . . 0.0 109.791 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 115.84 123.91 3.65 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.7 54.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.006 0.431 . . . . 0.0 111.127 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.944 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.79 0.329 . . . . 0.0 111.153 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.6 m 42.04 63.53 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.838 179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -147.67 30.61 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.737 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.57 86.7 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.773 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.0 mtp -112.8 -61.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -165.49 31.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.74 81.63 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -132.29 119.01 20.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -54.27 100.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -119.11 92.93 3.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.67 161.46 22.65 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.311 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 96' ' ' GLU . 5.9 mttp -117.2 31.3 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.116 0.484 . . . . 0.0 111.004 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 94' ' ' GLU . 7.7 t -116.77 -50.97 2.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.452 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.43 ' N ' ' CG2' ' A' ' 93' ' ' THR . 11.6 mt-10 -85.96 -31.73 21.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.541 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.89 -22.12 21.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.834 0.35 . . . . 0.0 110.783 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 92' ' ' LYS . 5.3 mm-40 -79.02 -26.1 43.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.993 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.4 mt -54.41 -24.04 18.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -67.44 -41.79 84.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.763 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.64 -40.08 86.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -31.11 60.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.413 ' CD2' ' HB2' ' A' ' 150' ' ' TYR . 14.7 t80 -57.72 -50.6 72.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -56.88 -41.8 78.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.5 mtt -54.85 -27.2 40.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . 0.412 ' CE2' ' HE3' ' A' ' 120' ' ' MET . 0.8 OUTLIER -84.23 -24.51 30.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.24 149.3 21.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.771 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 4.8 mmtm -116.21 -45.18 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -80.4 0.08 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.772 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.93 71.04 0.31 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.927 0.394 . . . . 0.0 111.628 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -123.16 -30.52 3.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.17 -3.45 10.55 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.537 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.405 ' CZ ' ' OD2' ' A' ' 149' ' ' ASP . 38.7 m-85 -137.84 147.51 44.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.699 0.285 . . . . 0.0 110.541 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 18.9 mt -108.66 135.64 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.345 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -108.39 176.89 4.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.55 -28.47 69.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.183 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.48 -57.42 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.98 -40.2 66.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 48.1 mt -54.42 -29.29 48.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -89.66 -5.76 56.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.513 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.485 HD11 HG23 ' A' ' 119' ' ' ILE . 26.2 mt -91.0 -67.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.614 0.245 . . . . 0.0 111.427 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.412 ' HE3' ' CE2' ' A' ' 104' ' ' PHE . 0.0 OUTLIER -57.92 -21.44 43.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.032 -179.776 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 5.9 tt -69.39 -30.48 68.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.579 179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -69.46 -28.05 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.68 -9.15 58.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.651 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.6 p -65.3 -174.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.003 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -103.53 -17.55 17.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.712 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -105.82 -176.58 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.862 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.99 128.73 55.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 5.1 mp -133.14 131.98 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.035 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.0 t -84.21 169.59 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.782 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -63.57 -23.32 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.104 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.69 -55.76 23.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.89 -33.95 62.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 35.6 mt -64.37 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -46.65 89.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -30.58 68.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -32.91 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -77.4 -43.08 33.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -62.68 -25.59 68.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -100.2 0.29 40.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.406 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.86 -27.97 1.47 Allowed Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.846 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.2 97.66 11.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -31.34 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -83.64 -8.1 59.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 58.85 25.87 14.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.445 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -78.12 -3.15 40.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.381 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.21 -9.09 76.43 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.608 -0.805 . . . . 0.0 113.007 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.2 mmt85 -133.55 155.7 49.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 56.1 mt -108.53 123.84 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.184 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.405 ' OD2' ' CZ ' ' A' ' 111' ' ' TYR . 7.0 t70 -103.61 168.37 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.422 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 31.5 t80 -57.36 -41.8 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.017 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.81 -52.99 63.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.18 -40.84 86.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.263 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -27.01 67.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.504 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 13.1 mt -53.69 -37.14 62.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -80.09 -28.03 39.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.096 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.406 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.7 -54.18 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.56 2.48 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.747 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.52 38.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.15 0.5 . . . . 0.0 109.949 179.321 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 116.43 122.87 3.44 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.34 45.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.98 0.419 . . . . 0.0 111.194 -179.207 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.914 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.5 mtm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t 63.67 91.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 60.24 167.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.5 m -132.03 170.86 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -76.19 -51.62 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -132.37 111.73 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.7 -18.98 24.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.88 131.25 50.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -125.78 120.02 29.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -57.74 165.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -121.66 -81.54 0.61 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.669 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -80.38 85.29 5.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.974 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.9 t -112.8 -156.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.718 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -69.59 -8.3 46.21 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.618 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -30.79 46.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 0.0 110.687 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -21.67 55.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.4 mt -56.41 -21.69 26.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.318 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.407 ' HB3' ' CZ ' ' A' ' 150' ' ' TYR . 70.9 p -69.84 -39.0 76.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.783 0.325 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.73 -42.44 93.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.0 -22.15 64.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.95 -50.13 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.993 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -33.26 68.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 mtt -57.47 -30.15 64.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -8.7 59.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.9 140.69 33.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.8 0.333 . . . . 0.0 110.806 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.73 -36.75 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.278 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -99.64 8.37 44.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.537 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.4 71.02 0.3 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.784 0.326 . . . . 0.0 111.5 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -120.07 -7.16 9.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.476 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.89 -15.65 62.24 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.515 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -128.89 144.61 51.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.74 0.305 . . . . 0.0 110.754 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mt -108.74 131.62 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -109.12 174.57 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.96 -30.84 70.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.081 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.04 -32.22 63.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.092 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.31 -65.19 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.562 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.1 pp -49.39 -27.04 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.421 ' HA ' HD21 ' A' ' 121' ' ' LEU . 0.0 OUTLIER -66.42 -15.16 63.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.195 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.437 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 26.2 mt -90.38 -49.92 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 111.468 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -59.78 -31.96 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.919 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . 0.421 HD21 ' HA ' ' A' ' 118' ' ' LYS . 4.2 pp -82.74 -41.43 19.25 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . 0.437 ' HG2' ' HA ' ' A' ' 119' ' ' ILE . 20.5 pt20 -64.58 -45.72 85.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 122' ' ' GLN . . . -56.81 -22.36 35.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.214 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 9.5 t -119.91 107.36 13.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.95 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.13 26.95 11.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.612 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -122.25 -11.0 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 p -111.13 -164.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.725 0.298 . . . . 0.0 111.087 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.409 ' CG2' ' CB ' ' A' ' 132' ' ' ASP . 3.2 mp -49.69 129.77 7.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.915 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.3 m -79.07 165.79 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . 0.401 ' CA ' HD12 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -53.13 -23.74 8.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.685 -179.701 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -61.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 111.178 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . 0.409 ' CB ' ' CG2' ' A' ' 128' ' ' ILE . 0.7 OUTLIER -59.64 -34.63 73.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.602 -179.513 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 44.8 mm -67.1 -57.29 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.707 0.289 . . . . 0.0 111.395 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -48.25 -29.42 3.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.29 -30.27 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -30.53 70.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 4.6 tpt -57.76 -49.12 77.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.35 -26.28 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -99.21 11.05 40.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.502 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.42 -34.76 0.74 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.38 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.57 99.57 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -80.59 -36.07 33.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -84.53 -6.4 59.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 48.83 27.81 1.71 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 111.63 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -73.81 -36.06 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.495 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.86 -9.59 3.36 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.814 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -141.83 161.87 36.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.755 0.312 . . . . 0.0 110.694 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 24.2 mt -108.14 126.28 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.938 0.399 . . . . 0.0 111.211 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.495 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.0 p30 -103.67 179.34 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.459 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.407 ' CZ ' ' HB3' ' A' ' 98' ' ' SER . 27.7 t80 -71.38 -19.42 62.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.284 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.35 -60.31 2.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.0 111.018 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -67.93 -36.96 81.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.814 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.495 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -59.81 -25.51 65.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.715 0.293 . . . . 0.0 110.89 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.98 -33.23 68.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.81 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.27 -30.95 33.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.74 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.34 -26.13 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.863 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 159' ' ' GLY . 0.0 OUTLIER -83.68 -73.98 0.39 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.384 179.601 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 66.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.406 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 116.76 86.25 1.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.253 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.2 t -91.37 -60.14 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 0.0 111.116 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.885 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.811 0.339 . . . . 0.0 111.306 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.4 147.99 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.102 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -173.35 140.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 60.5 165.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.58 31.62 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.65 -69.0 0.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.978 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.99 -163.02 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -128.19 134.48 49.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.79 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.95 86.15 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.67 -167.02 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -107.02 -111.38 3.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.789 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -65.13 94.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 58.4 m -110.62 -97.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -107.12 -69.6 0.83 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -27.86 0.21 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.465 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.86 -26.25 5.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.107 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.56 -15.81 28.12 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.16 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.422 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 7.6 t -75.26 -23.72 57.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.76 -44.15 69.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.434 ' CD1' ' N ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -71.34 -12.81 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.55 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.444 ' CE2' ' HB2' ' A' ' 150' ' ' TYR . 10.2 t80 -69.62 -47.82 62.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.691 0.282 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -31.35 72.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.5 mmt -59.83 -36.66 77.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.76 -16.08 60.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.239 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.78 145.72 24.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.788 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -110.29 -36.32 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.084 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -100.97 4.19 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.435 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.62 59.94 4.02 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.859 0.362 . . . . 0.0 111.228 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -105.82 -8.14 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.428 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.67 -16.29 59.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.783 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -129.71 157.38 42.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 110.77 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.39 138.66 48.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -115.92 -176.07 2.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.35 -24.78 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.44 -37.68 65.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.296 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.19 -46.81 13.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 111.151 -179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 26.7 tp -50.84 -26.0 5.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.544 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.05 -27.19 30.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.319 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 39.7 mt -69.24 -55.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.264 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptm -58.92 -20.3 50.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.377 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 17.0 mt -83.95 -43.32 15.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.363 -179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -64.29 -41.99 96.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.011 0.434 . . . . 0.0 110.719 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.24 52.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.394 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.2 p -57.14 -170.33 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -97.84 -15.18 37.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.765 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.64 -179.89 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.95 116.76 25.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 23.6 mm -104.6 142.75 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.9 p -82.67 -176.2 6.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -79.7 -43.56 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.878 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.11 -43.21 73.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -35.03 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 23.8 mt -74.07 -59.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.039 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -57.03 -31.47 65.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.3 -31.79 72.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -46.53 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.51 -48.36 79.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -54.43 -24.88 21.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.413 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -96.28 -12.95 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.48 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.458 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.39 13.8 8.84 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.794 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -114.66 90.61 3.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -82.57 -39.61 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -86.76 -7.51 58.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.631 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.2 m120 44.59 42.33 5.6 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.718 0.294 . . . . 0.0 111.469 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -85.04 3.67 37.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.48 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 99.83 -6.94 58.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.706 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -153.25 166.92 31.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.747 0.308 . . . . 0.0 110.715 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.486 HG23 ' CG ' ' A' ' 153' ' ' PHE . 90.6 mt -108.22 128.44 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 111.293 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 9.4 p30 -104.15 173.38 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.444 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . 25.7 t80 -57.88 -28.24 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.385 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.405 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 0.7 OUTLIER -68.22 -58.54 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.679 -179.374 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -76.16 -17.35 59.6 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.486 ' CG ' HG23 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -89.57 -37.47 14.67 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.765 -179.312 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.413 ' CD1' ' N ' ' A' ' 155' ' ' GLU . 3.7 pp -57.3 -44.43 84.08 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.619 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.413 ' N ' ' CD1' ' A' ' 154' ' ' LEU . 3.8 mt-10 -63.87 -28.43 69.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.487 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.458 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -52.94 -38.29 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.12 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.5 mtm -99.09 -0.2 42.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.57 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 45.36 1.0 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.104 0.478 . . . . 0.0 110.068 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 105.42 119.76 4.63 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.25 39.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.874 0.368 . . . . 0.0 110.999 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.804 0.335 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.1 p -92.6 -35.42 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.3 174.28 7.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.38 -78.74 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.5 mmt -82.04 123.09 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -164.37 168.48 18.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.13 159.39 14.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -106.56 135.27 48.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 m -96.75 25.91 4.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.248 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -89.98 109.6 20.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.85 -95.13 0.56 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.639 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -65.29 115.91 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.75 0.309 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 -172.79 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.019 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -85.0 1.28 48.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 -36.01 9.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.966 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -33.64 70.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.28 -25.3 67.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.05 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -38.67 68.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.92 -42.46 99.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.5 mt -67.38 -22.44 65.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CD1' ' CD2' ' A' ' 153' ' ' PHE . 1.9 t80 -62.59 -45.77 91.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.818 0.342 . . . . 0.0 111.061 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -62.33 -31.73 72.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.1 -35.26 74.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -76.31 -18.32 59.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -87.64 142.32 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.727 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.92 -40.98 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -104.33 11.42 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.38 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.25 56.23 8.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.908 0.385 . . . . 0.0 111.323 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -96.55 -8.67 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.409 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.13 -11.9 70.97 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.646 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -138.27 151.72 47.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.756 0.313 . . . . 0.0 110.771 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.4 mt -108.69 132.98 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -107.93 170.85 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.45 -31.56 72.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.78 -47.48 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -55.44 26.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.9 tp -51.53 -27.89 12.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.21 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.3 -27.58 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.987 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 37.6 mt -62.91 -52.26 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.0 ttp -58.33 -27.8 64.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.34 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 1.5 mp -77.52 -45.9 24.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.22 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -66.86 -44.03 82.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.07 0.462 . . . . 0.0 110.658 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.32 -28.61 65.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.2 156.95 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.64 8.08 76.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.903 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -75.94 155.92 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.18 92.6 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.9 mt -127.4 132.25 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.0 t -84.31 168.99 15.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.754 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.75 -35.31 77.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.67 -44.12 76.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.051 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -60.62 -33.27 72.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 19.5 mt -71.82 -48.68 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -60.07 -51.98 67.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -28.8 64.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -35.85 81.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -46.89 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -26.31 62.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.427 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -82.34 -15.62 52.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.219 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.429 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.57 12.09 8.92 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.698 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -117.92 91.85 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.8 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -79.32 -33.07 43.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -87.36 -3.1 59.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.399 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 47.3 29.15 1.18 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 111.485 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -72.92 -35.57 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.717 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 125.31 -5.39 8.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.848 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mtt85 -142.8 153.26 43.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 110.765 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 46.1 mt -108.96 129.66 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -103.72 179.3 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -56.07 -25.33 44.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.215 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -54.24 7.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.7 -23.44 53.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.371 -179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.434 ' CD2' ' CD1' ' A' ' 101' ' ' PHE . 1.8 t80 -80.98 -43.47 19.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.243 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 155' ' ' GLU . 3.1 pp -61.37 -42.75 99.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.997 0.427 . . . . 0.0 110.648 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . 0.43 ' N ' ' CD1' ' A' ' 154' ' ' LEU . 0.3 OUTLIER -60.93 -34.35 74.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.584 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.429 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -49.86 -25.51 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.684 -179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.62 0.26 15.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.695 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -100.19 37.25 1.69 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 113.52 103.03 2.56 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.4 t -91.74 -71.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.0 mmm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.807 0.337 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 15.6 t 62.02 31.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.193 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -131.89 68.04 1.51 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.44 107.58 15.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -168.23 98.16 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.55 -167.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -73.28 83.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.053 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -115.33 167.12 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.684 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 p -125.0 -100.07 0.4 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.46 130.48 50.75 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.79 0.328 . . . . 0.0 110.965 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -51.83 -32.83 34.28 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.613 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -115.91 59.6 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.05 0.452 . . . . 0.0 110.817 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.1 t -113.09 -153.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.634 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -69.37 -6.86 32.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.653 0.263 . . . . 0.0 111.618 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.23 -38.79 16.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 0.0 110.585 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.412 ' HG3' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -64.51 -27.95 69.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.556 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . 0.412 ' N ' ' HG3' ' A' ' 96' ' ' GLU . 48.2 mt -58.72 -20.79 52.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.568 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 t -52.5 -43.25 64.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.066 0.46 . . . . 0.0 110.898 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -59.31 -38.07 79.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.946 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 33.2 mt -65.11 -32.25 73.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.76 -52.56 64.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -55.28 -39.71 70.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.4 mtt -55.93 -27.44 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.967 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -81.13 -20.78 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.8 134.64 33.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.834 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -103.35 -43.14 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -95.68 11.57 32.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.467 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.17 71.27 0.31 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.795 0.331 . . . . 0.0 111.401 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -119.87 -4.07 10.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.414 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.18 -10.95 69.01 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.772 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -134.08 151.71 51.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 0.0 110.725 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mt -108.59 118.51 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -107.71 174.64 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.7 -42.21 71.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.38 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.27 -53.14 60.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 14.1 tp -58.84 -31.03 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -62.63 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 10.9 mt -76.66 -41.4 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 ttp -57.03 -45.84 82.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.67 -41.94 82.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -65.16 -28.54 69.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.739 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.56 -26.15 68.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.0 p -68.55 -178.64 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -100.05 21.57 44.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.636 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -126.87 174.99 8.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 44.6 p -111.59 123.3 49.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 19.6 mm -120.74 155.3 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 38.6 p -96.01 160.08 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -20.6 59.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.76 -55.45 14.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.27 -43.83 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 29.8 mt -66.44 -28.29 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.42 -31.14 70.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -98.08 24.71 6.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.71 -38.04 8.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.725 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 38.2 mmm -72.43 -23.58 61.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -33.91 73.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.787 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.68 12.31 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.279 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.42 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.36 -35.8 0.68 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.384 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -104.44 118.58 36.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.031 0.443 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -78.75 -21.45 47.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.228 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -89.4 1.97 55.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.292 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.4 t30 49.82 27.96 2.54 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.317 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -71.29 -25.6 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.011 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.38 1.0 47.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.82 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -137.51 149.76 47.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.692 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -109.17 125.51 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.347 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -103.62 178.83 4.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.693 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.421 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 7.6 t80 -61.49 -29.85 70.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.218 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -59.68 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.931 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -63.93 -29.99 71.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.165 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.453 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.57 -42.0 91.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.957 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.453 HD22 ' CE2' ' A' ' 153' ' ' PHE . 1.6 mm? -51.44 -31.93 24.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -87.08 -38.07 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.244 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.42 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -52.02 -25.6 8.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 159' ' ' GLY . 9.7 mmt -79.51 -73.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.011 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -61.77 71.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.12 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 117.46 87.51 1.25 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.254 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.4 t -97.23 39.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 111.085 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.815 0.341 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.4 t -111.16 139.12 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.49 -40.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.7 t -76.86 89.96 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.1 ttm -88.24 122.15 31.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -115.58 25.41 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -131.04 21.94 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -66.28 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.767 0.318 . . . . 0.0 111.034 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -40.86 70.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -61.06 84.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.983 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.18 -101.94 1.55 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 97.11 10.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.07 -148.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.715 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -5.24 12.03 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -95.43 0.01 52.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.584 0.231 . . . . 0.0 111.321 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.28 -28.24 14.15 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 110.794 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 4.0 mt -56.84 -22.25 35.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.1 p -69.91 -31.52 69.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -58.64 -48.37 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.724 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.79 -25.01 59.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 150' ' ' TYR . 58.5 t80 -61.52 -54.17 46.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -53.65 -39.95 65.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.3 mmt -54.3 -25.87 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -85.13 -9.62 57.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.38 136.73 35.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.74 0.305 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 18.8 tptt -107.14 -41.76 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.056 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -101.16 5.63 42.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.556 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.32 80.51 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.673 0.273 . . . . 0.0 111.63 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -127.57 -1.78 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.623 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.59 -14.78 61.72 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.443 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CZ ' ' OD1' ' A' ' 149' ' ' ASP . 37.6 m-85 -133.49 154.03 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.746 0.307 . . . . 0.0 110.344 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . 0.41 HD12 ' CE1' ' A' ' 101' ' ' PHE . 5.4 mt -108.69 140.81 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.167 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -117.9 176.77 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 38.8 mt -60.69 -36.4 78.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.58 -35.51 80.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -60.44 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -60.87 -16.87 46.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.251 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.4 mmtm -76.78 -52.3 9.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.675 0.274 . . . . 0.0 111.359 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 17.9 pt -56.21 -42.58 73.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.511 -179.482 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -69.33 -29.53 67.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.128 -179.67 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.37 -45.65 45.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -27.26 69.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.42 -5.82 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.701 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 42.9 p -66.64 -173.5 0.23 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -99.76 -10.75 45.8 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.859 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -113.28 -178.38 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 22.0 p -111.34 126.35 54.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.424 HG23 HD11 ' A' ' 128' ' ' ILE . 30.9 mm -121.15 143.74 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.5 t -80.34 164.24 23.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -31.6 69.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -48.89 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.11 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -59.25 -40.86 87.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.041 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 34.1 mt -69.26 -26.26 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.29 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -81.43 -28.72 34.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.057 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.06 -25.08 65.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.44 -47.69 81.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.091 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.94 -38.1 87.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.021 -179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -57.57 -41.62 81.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.411 ' O ' ' CZ ' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -99.46 23.52 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.197 -179.783 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.429 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -132.61 -37.65 0.26 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.274 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.94 112.34 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -36.71 15.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.99 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -82.79 -9.49 59.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.1 t30 57.29 24.44 9.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.404 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -74.8 -16.22 60.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.712 0.292 . . . . 0.0 111.277 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 110.73 -3.08 28.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.012 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -143.75 155.82 44.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.456 HG22 ' CD2' ' A' ' 153' ' ' PHE . 22.7 mt -108.72 133.45 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.532 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.3 t70 -103.82 178.7 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.584 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.453 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 31.4 t80 -73.17 -19.98 60.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.384 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -56.74 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.722 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -71.75 -40.63 69.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.946 -179.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.532 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -59.23 -23.31 62.21 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.062 -179.576 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.77 -30.35 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.719 179.784 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -34.56 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.429 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -51.63 -26.43 8.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.845 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' MET . . . . . 0.477 ' O ' ' N ' ' A' ' 159' ' ' GLY . 3.3 tpp -83.83 -72.74 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.558 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.98 67.27 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.487 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . 0.477 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 116.93 89.7 1.46 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.533 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 3.1 t -101.67 46.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.94 0.4 . . . . 0.0 110.976 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.909 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.924 0.392 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.53 125.03 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -124.8 99.75 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.69 -60.7 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.8 tpp -149.6 56.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp 60.43 -176.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.16 -166.46 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -83.47 111.86 19.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.4 p -55.85 151.51 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -66.47 -176.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.2 -167.28 14.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.322 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.424 ' HA ' ' HG2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -118.8 30.49 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.128 0.49 . . . . 0.0 111.139 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.78 -63.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.61 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -26.62 31.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.966 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -99.52 5.67 46.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.588 0.232 . . . . 0.0 111.39 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 92' ' ' LYS . 16.7 mm-40 -102.05 -29.53 11.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.3 mt -59.68 -20.39 55.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.003 179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -50.95 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 110.604 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -37.99 74.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.518 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.16 -30.61 49.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -58.85 -39.86 82.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -62.13 -42.53 99.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.745 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtt -55.12 -30.51 59.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -77.82 -27.49 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.679 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -87.24 148.52 25.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . 0.437 ' HG3' HG13 ' A' ' 119' ' ' ILE . 5.3 mmmt -116.17 -45.15 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.027 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -76.67 -2.09 31.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.789 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.65 63.28 2.23 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.913 0.387 . . . . 0.0 111.402 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -122.02 -27.77 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.8 0.28 17.57 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.677 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -137.76 148.99 46.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.368 . . . . 0.0 110.645 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.4 mt -110.14 129.89 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.295 -179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.31 179.67 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -63.38 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.165 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -76.64 -26.96 55.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.66 -57.45 3.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.932 0.396 . . . . 0.0 111.091 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 36.7 tp -49.8 -27.37 4.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.394 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -76.51 -21.62 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.259 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . 0.437 HG13 ' HG3' ' A' ' 106' ' ' LYS . 29.2 mm -66.07 -58.63 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.967 0.413 . . . . 0.0 111.176 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.8 ttp -54.31 -24.06 17.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.45 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 8.9 mp -79.89 -45.2 19.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.14 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -69.14 -43.69 73.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.977 0.418 . . . . 0.0 110.589 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.01 69.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.043 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.54 166.76 22.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.99 10.77 69.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.848 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -89.39 164.44 14.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 110.98 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -119.35 100.78 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.87 143.16 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.8 t -83.09 170.65 14.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.972 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.78 -30.89 67.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.774 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.8 -48.47 81.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.25 -35.68 70.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.443 HG23 HD13 ' A' ' 133' ' ' ILE . 42.3 mt -66.58 -42.5 90.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.18 -50.9 68.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.0 -29.79 71.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -30.37 68.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.007 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 37.3 mmm -82.49 -33.49 28.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.66 -24.75 67.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.42 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -96.88 1.76 50.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.597 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.424 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -123.11 -29.85 1.17 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.553 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.31 97.38 6.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.703 0.287 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -80.96 -34.02 33.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.97 -4.88 59.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.181 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.7 m120 52.27 27.32 4.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.458 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.87 -34.86 62.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.042 0.449 . . . . 0.0 110.538 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 127.94 -0.61 6.68 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.825 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -143.88 162.29 36.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.468 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 50.2 mt -108.19 125.91 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.226 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.459 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.2 p30 -103.69 164.62 11.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.973 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.456 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 27.5 t80 -59.52 -20.97 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.295 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.81 -59.26 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.038 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.02 -30.67 65.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.58 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.468 ' CD2' ' CG2' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -68.28 -35.34 77.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.984 0.421 . . . . 0.0 110.575 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.456 ' CD2' ' CE1' ' A' ' 150' ' ' TYR . 0.1 OUTLIER -49.27 -38.91 28.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -75.92 -28.1 57.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.424 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.54 -26.79 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.91 -1.35 14.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.644 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.93 37.62 1.6 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.242 0.544 . . . . 0.0 109.749 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 115.62 116.08 3.01 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -178.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.38 52.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.959 0.409 . . . . 0.0 111.121 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.95 150.08 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.2 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 44.35 38.5 2.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.418 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.71 30.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.14 -63.12 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.58 85.83 6.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.63 148.25 25.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.66 104.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.1 p -77.66 -162.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.2 138.96 3.64 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.97 0.414 . . . . 0.0 111.295 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.04 -150.21 8.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.681 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.15 64.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 12.3 t -112.74 -159.55 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -68.22 -9.38 46.7 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.588 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.51 -31.94 60.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.702 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -24.84 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.94 -16.71 60.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.234 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 15.2 t -60.76 -42.9 98.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -59.51 -41.33 89.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 100' ' ' LEU . 1.6 mm? -61.81 -25.59 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.023 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.422 ' CD2' ' HB2' ' A' ' 150' ' ' TYR . 11.3 t80 -60.78 -44.2 97.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -57.68 -39.49 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.8 mtm -56.78 -29.81 63.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -23.11 41.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.2 146.23 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -40.9 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.044 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -91.68 4.1 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.604 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.66 67.97 0.69 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.853 0.359 . . . . 0.0 111.38 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -119.98 -6.8 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.488 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.73 -13.8 66.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.543 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 26.2 m-85 -133.85 144.28 48.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.686 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.82 135.76 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -112.02 -178.86 3.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.7 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.08 -29.99 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 -179.857 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.22 -51.76 58.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.33 -48.14 77.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.02 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 41.2 mt -53.5 -29.85 38.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -77.84 -22.64 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.4 mt -85.88 -57.9 3.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.8 ttp -52.76 -28.32 21.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 60.0 mt -83.28 -27.95 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -27.53 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.73 -7.92 59.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.644 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 30.0 p -74.73 -172.06 1.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.822 0.344 . . . . 0.0 110.978 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.34 -5.91 22.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.925 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -100.4 178.39 4.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.1 p -109.62 127.5 54.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.8 mp -133.04 128.73 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.042 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 8.9 t -79.37 176.81 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.981 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.51 -31.55 67.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.65 -49.67 70.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.6 -34.74 59.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 37.1 mt -72.61 -40.14 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.29 -45.39 88.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.73 -29.83 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -45.65 92.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -34.46 72.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -27.71 65.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -73.97 -10.02 59.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.382 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLY . . . . . 0.452 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.84 -23.18 2.31 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.832 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.25 88.14 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.966 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -75.2 -31.84 61.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.719 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -89.68 -5.93 56.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.0 m120 52.2 37.11 21.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.638 0.256 . . . . 0.0 111.555 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -84.87 3.45 37.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.387 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.57 -12.12 69.43 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.71 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -140.9 157.2 45.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.452 HG23 ' CD2' ' A' ' 153' ' ' PHE . 59.4 mt -109.11 125.84 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.299 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.2 p30 -103.39 170.89 7.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.692 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' TYR . . . . . 0.422 ' HB2' ' CD2' ' A' ' 101' ' ' PHE . 17.4 t80 -60.47 -21.3 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.356 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.49 -58.48 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.083 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' GLU . . . . . 0.424 ' HG3' HG21 ' A' ' 148' ' ' ILE . 11.4 pt-20 -74.44 -30.41 61.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.859 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' PHE . . . . . 0.474 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.2 OUTLIER -65.98 -33.2 75.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.583 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' LEU . . . . . 0.407 HD21 ' CE1' ' A' ' 150' ' ' TYR . 0.2 OUTLIER -50.24 -30.29 11.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.4 -25.46 42.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' PHE . . . . . 0.452 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.65 -18.95 34.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.175 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.24 20.63 16.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.831 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.73 15.19 1.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 119.74 -7.1 12.24 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.652 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 156' ' ' PHE . 35.7 m -46.51 -42.55 5.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.114 0.457 . . . . 0.0 111.433 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.843 0.354 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -44.51 -29.49 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.432 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -56.15 -30.42 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.36 -14.5 62.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.1 p -59.92 -34.21 72.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.813 0.34 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -69.52 -30.29 68.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -80.55 -30.82 37.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 150' ' ' TYR . 15.7 t80 -65.72 -43.24 89.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.06 -34.0 75.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.805 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.5 mmm -58.52 -36.51 73.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.572 ' HB3' HD13 ' A' ' 112' ' ' ILE . 5.4 m-85 -71.01 -23.13 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.054 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.38 145.82 24.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.721 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.66 -38.02 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -97.2 3.33 51.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.416 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.92 67.64 0.87 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.818 0.342 . . . . 0.0 111.496 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -116.47 -8.11 11.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.343 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.99 -16.99 59.16 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.614 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.78 140.13 52.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.659 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.572 HD13 ' HB3' ' A' ' 104' ' ' PHE . 18.3 mt -108.56 135.17 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.18 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -108.09 -179.71 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.57 HD21 ' HG2' ' A' ' 134' ' ' GLU . 2.4 mp -65.71 -32.72 74.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -73.33 -40.05 64.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.752 ' HA ' HD12 ' A' ' 119' ' ' ILE . 4.7 mt-10 -68.38 -60.48 2.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.93 -27.62 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.49 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -67.21 -38.99 86.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.044 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 116' ' ' GLU . 6.8 mt -61.28 -45.87 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -63.14 -29.3 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.27 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.622 HD13 HG12 ' A' ' 133' ' ' ILE . 18.9 mt -77.89 -49.02 15.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.253 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -58.61 -42.43 88.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.085 0.469 . . . . 0.0 110.615 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.74 30.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.711 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 121' ' ' LEU . 20.9 p -59.63 172.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.46 -11.42 82.02 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.864 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.42 -178.29 3.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.05 123.92 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.9 mm -114.26 139.89 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.25 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 130' ' ' GLU . 2.1 m -86.58 170.06 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.792 ' HA ' HD12 ' A' ' 133' ' ' ILE . 8.8 mt-10 -64.81 -38.39 90.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.52 -45.36 91.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.91 -40.39 95.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 130' ' ' GLU . 13.1 mt -64.28 -40.46 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.57 ' HG2' HD21 ' A' ' 114' ' ' LEU . 2.2 tm-20 -69.84 -33.0 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.57 -29.92 68.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.04 -36.25 69.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.3 mmt -63.53 -56.06 19.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -63.15 -23.99 67.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 3.6 m-20 -80.86 -15.25 56.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.451 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.452 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -122.53 -4.88 8.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.861 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -101.86 93.23 5.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -30.37 27.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -86.68 -3.65 59.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.285 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 45.96 42.01 8.77 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.777 0.322 . . . . 0.0 111.596 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -86.26 -34.37 20.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.982 0.42 . . . . 0.0 110.566 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 130.06 -4.89 6.05 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.743 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -149.68 160.8 43.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.473 HG23 ' HG3' ' A' ' 152' ' ' GLU . 28.2 mt -108.62 128.75 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.184 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.5 p30 -102.86 167.55 9.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . 88.8 t80 -56.45 -28.25 59.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.76 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.25 -60.23 2.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.754 0.311 . . . . 0.0 111.233 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.473 ' HG3' HG23 ' A' ' 148' ' ' ILE . 14.5 pt-20 -71.33 -27.47 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.855 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.3 OUTLIER -72.55 -35.48 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.719 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 154' ' ' LEU . 1.6 tp -52.24 -41.19 62.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.799 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.42 -27.41 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.734 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.452 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.07 -50.07 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.7 mmt -80.95 0.25 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.59 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 25.7 mttt . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.079 0.466 . . . . 0.0 110.024 179.335 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.232 0.539 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -56.54 -23.73 42.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.8 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -73.22 -25.81 60.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.995 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.9 mt -53.28 -24.16 10.83 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.384 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.5 t -68.63 -32.75 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.724 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -44.32 67.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -27.95 61.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -56.62 -42.12 78.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.8 mmt-85 -60.15 -36.04 76.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 41.6 mmm -54.93 -35.23 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -73.92 -20.91 60.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.41 136.98 32.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HD3' HG21 ' A' ' 119' ' ' ILE . 31.4 tptt -107.69 -50.14 3.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -89.54 6.42 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.518 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.96 70.15 0.43 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.822 0.344 . . . . 0.0 111.386 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -116.98 -3.18 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.509 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.4 -5.9 67.95 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.637 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 29.2 m-85 -143.95 163.28 33.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.755 0.312 . . . . 0.0 110.786 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.795 HD13 ' CE2' ' A' ' 153' ' ' PHE . 1.9 mp -117.72 125.44 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.075 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -107.18 178.23 4.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.47 HD23 ' SD ' ' A' ' 137' ' ' MET . 20.5 mt -63.46 -34.87 78.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.971 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -73.09 -23.1 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.235 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.39 -55.42 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' A' ' 136' ' ' LEU . 52.8 tp -50.51 -29.75 11.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.392 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.568 ' HA ' HG21 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -73.62 -20.21 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.139 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.527 HG21 ' HD3' ' A' ' 106' ' ' LYS . 22.6 mm -74.64 -54.77 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.811 0.339 . . . . 0.0 111.066 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -53.74 -26.0 21.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.326 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.539 HD13 HG12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -85.07 -33.43 22.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.953 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -69.12 -30.05 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -24.65 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.281 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.5 p -58.33 174.32 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.62 9.76 75.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.841 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.429 ' OE1' HD11 ' A' ' 128' ' ' ILE . 8.4 pt-20 -114.99 -177.24 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.321 . . . . 0.0 110.771 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 82.6 p -121.29 115.06 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.782 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 129' ' ' THR . 24.7 mm -113.14 158.29 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.619 HG23 ' H ' ' A' ' 132' ' ' ASP . 4.3 t -94.95 163.78 13.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.16 -24.77 62.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -55.49 11.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.929 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.619 ' H ' HG23 ' A' ' 129' ' ' THR . 1.1 t70 -54.29 -37.07 64.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.074 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.568 HG21 ' HA ' ' A' ' 118' ' ' LYS . 19.2 mt -72.73 -28.35 27.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -70.93 -45.03 64.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -60.63 -30.89 70.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.629 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -60.01 -31.11 69.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.47 ' SD ' HD23 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -70.31 -37.76 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -71.35 -28.87 64.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.02 -3.32 44.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.488 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.96 -27.18 1.58 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.661 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.33 93.48 9.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -62.25 -23.81 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.045 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.24 10.36 18.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.219 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 48.88 38.39 12.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.708 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.34 -6.37 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.63 0.252 . . . . 0.0 111.46 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.81 -16.02 55.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.725 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -131.68 144.15 50.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 152' ' ' GLU . 46.9 mt -110.0 131.88 59.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.601 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.423 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.2 p30 -103.79 178.07 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.562 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -62.66 -21.13 65.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.186 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.25 -53.12 8.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.293 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.531 ' HB2' HG23 ' A' ' 148' ' ' ILE . 21.6 mt-10 -65.93 -40.56 91.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.795 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -67.92 -24.96 65.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.104 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -39.9 70.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.808 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.41 -27.27 34.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.82 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.418 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.46 -45.59 88.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.07 4.72 36.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.481 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.0 tttt . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 121.223 0.535 . . . . 0.0 109.918 179.346 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.731 0.3 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.82 -29.87 35.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.813 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.07 -20.72 62.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.424 HD21 ' HG3' ' A' ' 157' ' ' MET . 0.3 OUTLIER -54.9 -23.07 17.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.282 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.3 p -65.79 -46.94 76.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.88 0.371 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.16 -41.52 88.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.58 -30.02 62.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.19 -46.46 88.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -58.87 -35.72 73.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.1 mmt -58.18 -29.85 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 120' ' ' MET . 4.6 m-85 -79.73 -23.75 42.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -90.09 141.05 29.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.767 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -114.25 -44.6 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -85.19 1.09 49.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.451 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.16 71.19 0.34 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.812 0.339 . . . . 0.0 111.464 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -123.05 -1.17 8.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.497 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.76 -11.91 71.04 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.693 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -136.01 145.74 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 0.0 110.708 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.554 HD13 ' HE2' ' A' ' 153' ' ' PHE . 3.2 mt -108.51 128.07 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.167 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -107.45 -175.95 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 tp -66.75 -31.88 72.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.16 -56.56 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.028 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.32 -49.53 76.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.448 HD21 HD22 ' A' ' 136' ' ' LEU . 26.7 tp -57.33 -37.42 72.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.439 ' HA ' HD21 ' A' ' 121' ' ' LEU . 13.7 tttt -54.18 -22.72 12.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.511 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.435 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 23.9 mt -82.41 -32.14 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.017 0.437 . . . . 0.0 111.345 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.495 ' O ' HG23 ' A' ' 124' ' ' THR . 6.4 tmm? -53.19 -40.82 64.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.153 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.74 ' HB2' HD13 ' A' ' 128' ' ' ILE . 0.0 OUTLIER -95.53 -18.79 20.33 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 119' ' ' ILE . 4.0 pt20 -79.46 -45.85 18.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.78 0.324 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 122' ' ' GLN . . . -59.37 -30.84 68.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.302 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 120' ' ' MET . 71.5 p -68.08 170.59 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.39 7.68 79.9 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.896 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.75 ' OE1' HD11 ' A' ' 128' ' ' ILE . 4.7 pt-20 -94.8 173.09 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.2 p -119.24 108.46 14.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.75 HD11 ' OE1' ' A' ' 126' ' ' GLU . 3.2 mp -119.57 142.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -97.62 -175.46 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.454 ' H ' HG22 ' A' ' 129' ' ' THR . 0.3 OUTLIER -85.56 8.92 17.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.475 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.65 -53.75 4.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.844 0.354 . . . . 0.0 110.62 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -30.64 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.041 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.7 mt -72.18 -54.06 17.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -55.07 -28.91 55.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.216 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.06 15.49 15.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.448 HD22 HD21 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -101.81 -31.91 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.491 ' HA ' HD11 ' A' ' 148' ' ' ILE . 2.7 mtp -83.79 -39.55 19.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.838 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -58.3 -30.14 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -81.84 -5.71 58.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.327 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.06 -3.23 8.99 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.783 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.49 93.37 6.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.819 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -77.11 -37.39 54.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -86.88 -2.79 58.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.299 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 51.59 28.42 4.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.475 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -70.05 -36.47 75.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.796 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 124.69 3.31 7.8 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.88 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -150.55 161.07 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.778 0.323 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 137' ' ' MET . 55.6 mt -108.79 127.45 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -103.64 173.96 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.852 ' CZ ' HD11 ' A' ' 154' ' ' LEU . 73.7 t80 -57.58 -28.06 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.182 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -55.0 7.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.455 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -64.61 -38.32 90.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.218 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.554 ' HE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -70.9 -29.15 65.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.852 HD11 ' CZ ' ' A' ' 150' ' ' TYR . 1.2 mp -59.68 -43.61 93.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.47 -31.96 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.724 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.87 -29.95 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.424 ' HG3' HD21 ' A' ' 97' ' ' LEU . 15.8 mmt -105.19 1.52 28.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.5 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.025 0.44 . . . . 0.0 110.132 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.692 0.282 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -95.84 -8.37 34.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.001 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -89.85 -27.52 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.613 HD21 ' HG2' ' A' ' 157' ' ' MET . 36.8 mt -58.1 -20.84 43.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -65.24 -46.45 80.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.81 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.92 -39.26 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.619 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.96 -28.88 64.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.748 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -62.18 -48.62 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -59.35 -40.18 85.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.794 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -30.22 59.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.64 -19.62 55.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.39 142.09 28.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.652 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -40.07 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.079 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -103.71 11.89 35.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.491 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.8 75.36 0.11 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.558 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -120.5 -6.13 9.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.655 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.62 -10.86 68.75 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.615 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 18.6 m-85 -137.75 153.08 49.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.721 0.296 . . . . 0.0 110.618 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.9 mt -108.46 131.09 59.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 111.042 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -110.56 173.73 6.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.853 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' ' 114' ' ' LEU . 4.1 mp -62.06 -35.93 80.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -29.87 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.173 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' A' ' 119' ' ' ILE . 1.6 mp0 -85.54 -47.18 10.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 136' ' ' LEU . 14.9 tp -55.73 -41.18 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.553 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.2 pttp -59.77 -33.54 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 116' ' ' GLU . 22.9 mt -72.32 -46.99 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 9.2 tmm? -53.43 -30.95 43.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 118' ' ' LYS . 5.5 mt -76.36 -33.05 58.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -68.99 -25.04 64.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.26 -30.96 71.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.6 p -69.25 168.68 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -89.81 11.88 69.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.748 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -110.54 177.47 4.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.4 p -112.42 124.81 53.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.4 mm -120.0 140.6 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.7 t -97.6 -179.1 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.878 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -66.49 -27.69 67.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.999 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.82 -53.9 51.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.08 -37.96 78.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' A' ' 130' ' ' GLU . 17.6 mt -64.69 -48.04 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.84 -31.13 67.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.89 -44.57 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.672 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -60.1 -30.41 69.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.524 ' HE2' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -75.76 -46.03 33.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -27.54 68.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -77.77 -9.67 59.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.456 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.437 ' HA3' ' CD2' ' A' ' 156' ' ' PHE . . . -123.1 -24.62 1.99 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.744 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.0 92.08 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.351 . . . . 0.0 111.158 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.57 -37.26 43.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.712 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -89.36 -5.06 57.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.291 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.69 31.6 6.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.756 0.313 . . . . 0.0 111.402 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -83.36 1.36 41.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.429 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.29 -12.9 67.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.918 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -140.56 151.23 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.524 HD12 ' HE2' ' A' ' 137' ' ' MET . 19.0 mt -108.89 132.48 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.241 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.8 p30 -103.46 178.93 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.71 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -69.59 -19.72 63.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.703 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.37 -56.86 4.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.763 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.441 ' HG3' HG23 ' A' ' 148' ' ' ILE . 6.9 pt-20 -70.76 -37.16 73.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.634 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.3 OUTLIER -64.83 -29.2 70.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.806 0.336 . . . . 0.0 110.907 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.607 ' O ' HD13 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -51.66 -32.55 29.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.615 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -83.64 -27.51 29.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.437 ' CD2' ' HA3' ' A' ' 140' ' ' GLY . 1.6 t80 -51.31 -31.25 20.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.613 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -78.54 -72.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.18 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.1 pttp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.127 -179.661 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.721 0.296 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -29.84 13.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.04 -32.94 68.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.924 0.392 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.507 HD13 ' HG ' ' A' ' 154' ' ' LEU . 2.4 mt -64.78 -27.28 68.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.084 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -51.02 62.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.05 -28.43 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.76 -30.38 21.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -63.84 -43.08 97.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -56.66 -36.69 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.4 mtt -56.25 -28.0 57.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -88.14 -10.76 48.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.381 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 136.05 44.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.749 0.309 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -115.87 -40.05 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -80.89 0.34 35.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.699 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.15 59.01 4.85 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.934 0.397 . . . . 0.0 111.289 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -120.63 -7.12 9.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.601 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.71 -14.13 64.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.689 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -125.28 148.82 48.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.728 0.299 . . . . 0.0 110.721 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.736 HD13 ' CE2' ' A' ' 153' ' ' PHE . 2.4 mp -115.65 127.39 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.237 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.9 178.65 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.962 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.51 -39.92 89.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -38.02 72.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.03 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.669 ' OE1' HG23 ' A' ' 112' ' ' ILE . 12.4 tt0 -69.34 -62.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.502 HD13 HG21 ' A' ' 112' ' ' ILE . 15.0 tp -49.13 -27.97 3.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.18 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.56 ' HA ' HD21 ' A' ' 121' ' ' LEU . 24.7 mttm -59.55 -29.1 67.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.3 mt -81.66 -41.22 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.419 ' HE2' ' N ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -53.99 -44.15 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.592 HD22 HG12 ' A' ' 133' ' ' ILE . 2.9 pp -72.32 -34.93 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -28.08 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.52 -28.46 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.293 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.4 p -72.82 -178.14 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -110.3 13.71 30.84 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.628 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -103.76 177.85 4.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.4 p -110.01 123.38 49.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.1 mm -122.35 134.35 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 132' ' ' ASP . 8.2 t -86.02 172.19 10.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.489 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.7 pt-20 -72.84 -36.22 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.57 -47.41 86.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.688 ' H ' HG23 ' A' ' 129' ' ' THR . 0.8 OUTLIER -58.61 -38.58 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.592 HG12 HD22 ' A' ' 121' ' ' LEU . 19.9 mt -70.48 -47.07 67.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -58.95 -48.0 83.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.034 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.35 -31.44 71.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -31.83 72.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -44.33 65.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.16 -29.07 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.976 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -82.18 -6.76 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.371 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.458 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.07 -2.38 9.25 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.728 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.34 102.72 12.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.762 0.315 . . . . 0.0 110.801 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -84.03 -36.77 22.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -83.82 -7.7 59.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.235 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 52.35 26.73 4.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.524 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -69.93 -36.12 75.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.702 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 131.66 -0.54 5.04 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.851 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.37 161.26 42.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.826 0.313 . . . . 0.0 110.798 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.445 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 28.6 mt -108.7 127.81 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.27 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 4.3 p30 -103.68 179.64 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.685 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.785 ' O ' HD13 ' A' ' 154' ' ' LEU . 13.5 t80 -60.93 -29.06 69.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.279 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.84 -54.83 10.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.043 0.449 . . . . 0.0 110.402 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.408 ' HB2' HG23 ' A' ' 148' ' ' ILE . 22.8 mt-10 -65.02 -41.62 95.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.405 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.736 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -69.05 -26.25 64.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.721 0.296 . . . . 0.0 111.028 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.785 HD13 ' O ' ' A' ' 150' ' ' TYR . 0.8 OUTLIER -59.41 -37.02 76.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.542 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.27 -29.85 48.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.723 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.458 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.24 -18.06 23.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.288 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.38 17.85 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.702 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.158 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.723 ' HG2' HD11 ' A' ' 154' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.658 0.266 . . . . 0.0 111.577 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.54 -28.99 16.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -26.86 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.016 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 100' ' ' LEU . 2.0 mt -55.43 -23.15 23.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m -61.17 -37.05 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.789 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -36.73 85.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 97' ' ' LEU . 6.7 mt -77.16 -31.4 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.441 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 35.3 t80 -59.96 -43.3 95.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -55.63 -38.84 70.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mmt -55.63 -25.02 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -83.91 -22.07 31.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.042 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.17 138.32 36.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.704 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -107.96 -36.41 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -101.04 6.11 43.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.545 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.34 75.3 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.746 0.308 . . . . 0.0 111.36 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -121.57 -3.73 9.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.534 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.68 -17.04 59.4 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 27.8 m-85 -134.12 142.88 47.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.808 0.337 . . . . 0.0 110.69 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.712 HD13 ' CE2' ' A' ' 153' ' ' PHE . 3.7 mp -108.62 135.44 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -107.73 -179.69 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.15 -29.32 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.085 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.06 -55.04 11.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.078 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.757 ' HA ' HD12 ' A' ' 119' ' ' ILE . 3.4 mt-10 -58.73 -50.7 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.653 HD22 ' SD ' ' A' ' 137' ' ' MET . 38.4 tp -50.24 -27.75 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.192 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -64.93 -31.86 73.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 116' ' ' GLU . 4.3 mt -75.68 -44.29 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.032 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.51 -35.93 54.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.656 HD12 ' CD1' ' A' ' 128' ' ' ILE . 3.9 mm? -81.89 -31.32 31.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -27.87 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.72 -32.71 71.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.4 p -75.5 171.61 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -93.58 19.85 50.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.703 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -104.06 171.07 7.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.25 113.18 19.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.656 ' CD1' HD12 ' A' ' 121' ' ' LEU . 4.3 mt -126.03 141.15 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.5 t -85.51 167.32 15.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.455 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.4 tm-20 -67.14 -23.4 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.54 -57.7 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.49 -36.76 69.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 130' ' ' GLU . 20.7 mt -71.18 -30.65 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.9 -50.6 33.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.84 -31.02 69.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.653 ' SD ' HD22 ' A' ' 117' ' ' LEU . 86.9 mmm -80.66 -40.56 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -25.45 63.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -89.79 10.06 24.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.428 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.44 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.56 -34.19 0.77 Allowed Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.309 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.08 96.97 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -72.7 -29.22 63.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -96.62 2.8 52.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.386 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 54.97 24.31 5.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.725 0.298 . . . . 0.0 111.274 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.62 -16.3 60.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.396 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.25 -4.29 67.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.756 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -142.3 154.88 45.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 0.0 110.631 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.402 HG21 ' CG ' ' A' ' 153' ' ' PHE . 61.2 mt -109.14 128.04 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.973 0.416 . . . . 0.0 111.467 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.419 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.3 p30 -103.08 172.95 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.502 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 36.3 t80 -57.32 -24.26 53.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.234 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -53.72 7.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.979 0.418 . . . . 0.0 110.379 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.56 -37.59 85.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.213 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -70.27 -25.85 63.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.679 0.276 . . . . 0.0 111.051 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -61.52 -43.28 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.92 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -71.86 -32.63 67.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.468 ' HB3' ' HE3' ' A' ' 157' ' ' MET . 0.1 OUTLIER -56.81 -38.55 72.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.028 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.468 ' HE3' ' HB3' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -99.49 0.7 42.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.479 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 121.059 0.456 . . . . 0.0 110.019 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.606 0.241 . . . . 0.0 111.458 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -88.66 -32.09 18.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.831 0.348 . . . . 0.0 110.97 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -24.21 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.402 HD21 ' HG3' ' A' ' 157' ' ' MET . 5.5 mt -62.58 -15.61 52.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.429 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.426 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 82.9 p -69.63 -34.57 74.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.48 -38.63 81.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.92 -12.46 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.375 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 150' ' ' TYR . 66.6 t80 -67.6 -42.72 81.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.674 0.273 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -59.53 -31.71 69.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 32.2 mtt -57.42 -31.41 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.973 0.416 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.04 -18.44 53.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.115 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.12 146.14 25.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.829 0.347 . . . . 0.0 110.817 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -115.91 -45.56 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -82.92 -0.11 46.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.528 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.67 57.51 6.55 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.887 0.375 . . . . 0.0 111.413 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -105.59 -11.59 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.409 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.11 -9.84 58.11 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.694 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -138.49 154.13 48.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 110.724 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.775 HD13 ' CE2' ' A' ' 153' ' ' PHE . 1.8 mp -108.32 134.16 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.192 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -111.81 176.42 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.797 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.36 -29.85 69.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.063 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.58 -28.29 65.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.175 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.5 -43.01 10.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 111.008 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 tp -53.52 -25.19 15.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.263 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 133' ' ' ILE . 6.9 ptmt -84.36 -23.86 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.8 mt -66.21 -57.84 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 111.129 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -56.04 -29.25 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.839 HD13 HG21 ' A' ' 128' ' ' ILE . 4.4 mt -75.24 -38.99 60.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.826 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -66.3 -29.89 70.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.43 -22.84 66.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.324 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.2 p -63.81 -169.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -111.7 6.14 27.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.84 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -108.32 178.19 4.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.756 0.312 . . . . 0.0 110.964 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.1 p -105.12 131.81 52.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.839 HG21 HD13 ' A' ' 121' ' ' LEU . 3.2 mp -127.79 131.42 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 132' ' ' ASP . 3.0 t -87.39 176.15 7.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.752 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.02 -32.65 72.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -47.74 81.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.461 ' H ' HG23 ' A' ' 129' ' ' THR . 10.9 t70 -54.66 -44.52 73.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.082 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 118' ' ' LYS . 44.0 mm -58.08 -34.08 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -70.33 -55.19 9.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.096 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.41 -36.75 78.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.11 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.656 HD12 HD11 ' A' ' 121' ' ' LEU . 1.2 tt -60.21 -41.8 93.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.824 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.776 ' HE3' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -72.35 -36.22 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -29.6 69.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 1.2 t0 -69.21 -12.24 61.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.388 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.456 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.24 -22.58 2.58 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.696 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.01 83.21 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.868 0.366 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -79.22 -37.73 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -82.78 -10.56 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 45.69 45.2 11.02 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.479 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -107.25 14.03 26.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.307 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.88 -17.83 58.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.885 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -145.01 157.69 44.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.839 0.352 . . . . 0.0 111.05 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.776 HD12 ' HE3' ' A' ' 137' ' ' MET . 19.1 mt -108.31 132.56 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.286 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.6 p30 -103.22 174.31 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.423 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.716 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 23.7 t80 -62.48 -28.9 70.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 111.455 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.46 -55.94 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 148' ' ' ILE . 5.0 pt-20 -76.17 -34.82 59.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.949 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.775 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -65.54 -34.15 77.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.639 0.257 . . . . 0.0 111.192 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.716 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 9.7 mt -50.54 -29.65 11.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.877 0.37 . . . . 0.0 110.791 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 158' ' ' LYS . 17.0 mt-10 -79.45 -25.38 41.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.456 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.5 OUTLIER -52.37 -25.33 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 0.0 110.687 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.402 ' HG3' HD21 ' A' ' 97' ' ' LEU . 19.6 mmt -101.51 24.09 10.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.186 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 155' ' ' GLU . 17.2 mmtt . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 121.299 0.571 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.13 -24.43 14.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.833 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.54 ' O ' HD12 ' A' ' 100' ' ' LEU . 3.9 mm-40 -71.01 -25.09 62.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.37 -10.74 59.63 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.55 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.0 p -70.78 -51.39 27.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 111.275 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -56.32 -39.48 72.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 96' ' ' GLU . 0.6 OUTLIER -64.34 -22.05 66.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.325 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' HA ' ' CE2' ' A' ' 153' ' ' PHE . 44.3 t80 -60.96 -50.3 73.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.22 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -31.34 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.186 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -30.97 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.994 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -25.1 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.269 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.46 138.43 31.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.912 0.387 . . . . 0.0 110.995 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -105.11 -44.91 4.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -89.19 7.82 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.364 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 40.65 96.01 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -141.11 -40.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.276 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 136.77 -11.91 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.51 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -135.7 154.22 51.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.781 0.324 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.476 ' CG2' HD21 ' A' ' 117' ' ' LEU . 5.2 mt -108.9 118.96 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.119 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.85 177.41 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.835 ' HG ' HG22 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -56.45 -35.64 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.113 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.45 -46.94 88.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.034 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.36 -48.57 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.476 HD21 ' CG2' ' A' ' 112' ' ' ILE . 18.2 mt -63.85 -40.21 96.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -27.59 66.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.6 mt -89.36 -43.36 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.236 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.46 ' O ' HG23 ' A' ' 124' ' ' THR . 11.6 ttp -64.0 -26.59 68.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.347 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.795 HD12 ' CD1' ' A' ' 133' ' ' ILE . 12.2 mt -84.78 -49.99 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.207 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -58.58 -43.71 89.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.015 0.436 . . . . 0.0 110.55 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.01 -23.16 18.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.518 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 120' ' ' MET . 6.7 p -75.28 177.9 6.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.844 0.354 . . . . 0.0 110.758 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.28 15.5 62.01 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.706 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -115.22 165.03 13.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.323 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.8 p -108.23 126.05 52.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.699 HD13 ' HB3' ' A' ' 121' ' ' LEU . 3.0 mp -128.31 133.91 65.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.9 p -76.57 163.46 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.991 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -31.14 72.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.11 -41.69 99.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.33 -39.86 80.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.835 HG22 ' HG ' ' A' ' 114' ' ' LEU . 34.7 mm -60.54 -29.24 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.66 -45.72 42.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -70.51 -27.44 64.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -57.02 -44.13 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.056 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.414 ' HG3' HD12 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -74.69 -28.19 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.77 -29.64 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.68 -11.45 60.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.465 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.435 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.89 -22.22 2.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.955 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.95 89.55 4.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.876 0.369 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -73.92 -32.31 63.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.734 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -90.3 -1.62 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m120 62.82 17.39 9.87 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.607 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.76 -30.72 71.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.387 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.5 45.91 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -140.31 156.53 46.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.651 HG23 ' HB2' ' A' ' 152' ' ' GLU . 50.4 mt -108.93 116.2 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.23 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -103.91 179.78 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.501 ' O ' HD23 ' A' ' 154' ' ' LEU . 62.2 t80 -51.99 -28.56 17.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.334 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.49 -55.18 6.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.836 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.651 ' HB2' HG23 ' A' ' 148' ' ' ILE . 2.4 mm-40 -60.12 -27.3 66.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.057 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 101' ' ' PHE . 7.7 t80 -65.52 -29.94 70.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.8 mm? -76.0 -41.34 51.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.02 -46.49 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.435 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.4 OUTLIER -45.3 -28.7 0.87 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.406 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.7 tpp -79.38 -69.82 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.59 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? . . . . . 0 N--CA 1.463 0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.337 -179.589 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 97' ' ' LEU . 11.5 mt-10 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.536 0.208 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -73.93 -29.8 62.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.375 . . . . 0.0 110.571 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -25.0 58.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 94' ' ' GLU . 26.4 mt -57.49 -20.64 32.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.363 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.5 p -60.66 -41.37 94.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -37.89 89.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.751 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.12 -28.93 63.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -60.16 -50.63 72.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -60.84 -34.66 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.72 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.72 66.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.727 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.636 ' HB3' HD13 ' A' ' 112' ' ' ILE . 7.3 m-85 -80.17 -18.63 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 147.15 25.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.509 ' HG3' HD13 ' A' ' 119' ' ' ILE . 3.7 tmtt? -110.66 -41.98 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -89.97 7.73 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.636 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.37 68.0 0.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.923 0.392 . . . . 0.0 111.628 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -120.63 -30.28 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.88 -6.97 17.48 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.526 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -128.51 142.69 50.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.749 0.309 . . . . 0.0 110.539 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.636 HD13 ' HB3' ' A' ' 104' ' ' PHE . 26.7 mt -108.75 131.96 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.323 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -115.64 -173.01 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.749 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.838 HD11 ' HG2' ' A' ' 134' ' ' GLU . 0.3 OUTLIER -56.43 -37.69 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -63.33 -55.4 24.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.587 ' CB ' HG23 ' A' ' 112' ' ' ILE . 2.2 mp0 -57.76 -37.5 73.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' A' ' 136' ' ' LEU . 30.1 tp -77.15 -12.93 60.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.355 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.569 ' HA ' HG21 ' A' ' 133' ' ' ILE . 5.4 mttp -82.85 -31.18 28.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.146 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.509 HD13 ' HG3' ' A' ' 106' ' ' LYS . 17.5 pt -75.3 -38.23 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.282 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.418 ' HG3' ' CE2' ' A' ' 104' ' ' PHE . 6.1 tmm? -60.99 -52.34 65.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.788 HD13 HG12 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -67.92 -43.0 80.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -63.3 -26.95 69.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.85 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.05 -23.86 67.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 121' ' ' LEU . 21.6 p -58.49 -172.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.328 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -109.23 13.14 33.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.762 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -120.95 -177.6 3.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 110.801 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.619 ' O ' HD13 ' A' ' 128' ' ' ILE . 7.4 p -95.8 129.34 43.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.732 HG21 HD22 ' A' ' 121' ' ' LEU . 20.6 mm -133.5 120.95 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.099 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.7 t -80.96 171.53 14.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.66 -20.12 65.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.368 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.13 -60.32 2.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.767 0.318 . . . . 0.0 111.133 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -29.02 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.352 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.788 HG12 HD13 ' A' ' 121' ' ' LEU . 24.7 mt -85.67 -11.81 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.838 ' HG2' HD11 ' A' ' 114' ' ' LEU . 16.3 mt-10 -88.91 -37.9 14.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.783 0.325 . . . . 0.0 111.059 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.65 -35.33 77.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.133 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.746 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.49 -31.89 69.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.003 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.476 ' HG3' HD12 ' A' ' 114' ' ' LEU . 1.2 mmt -65.7 -40.79 92.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -72.36 -30.2 64.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 2.0 m-20 -68.36 -17.31 64.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.271 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.455 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.58 -19.66 3.06 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.83 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -81.85 94.96 7.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -81.89 -29.37 32.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -84.9 -5.09 59.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.377 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 49.24 27.96 2.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 111.532 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -81.84 -31.22 31.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.707 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 126.33 -7.19 7.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.73 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -140.83 151.93 44.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.799 0.333 . . . . 0.0 110.753 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.594 HG23 ' HB2' ' A' ' 152' ' ' GLU . 47.9 mt -108.63 134.02 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -103.78 176.81 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.776 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.838 ' CZ ' HD11 ' A' ' 154' ' ' LEU . 63.7 t80 -61.0 -21.53 63.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -53.03 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.378 . . . . 0.0 110.416 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.594 ' HB2' HG23 ' A' ' 148' ' ' ILE . 28.4 mt-10 -67.6 -37.51 82.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.203 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.603 ' CE2' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -72.69 -27.15 61.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.154 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.838 HD11 ' CZ ' ' A' ' 150' ' ' TYR . 1.0 OUTLIER -58.59 -36.53 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 110.623 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -76.7 -27.98 55.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.455 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -55.5 -31.88 62.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.98 20.94 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.012 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 120.584 0.231 . . . . 0.0 111.596 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -88.04 -24.34 23.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.907 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -28.65 64.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.646 HD21 ' HG3' ' A' ' 157' ' ' MET . 0.4 OUTLIER -53.89 -25.17 18.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.246 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.3 p -74.18 -36.32 64.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.691 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -47.94 82.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.39 -23.5 66.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -63.29 -53.71 48.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.059 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -43.91 74.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.991 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 16.0 mtt -53.94 -27.29 30.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.706 ' HB3' HD13 ' A' ' 112' ' ' ILE . 2.5 m-85 -87.06 -13.53 44.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.372 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -97.63 143.91 27.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.802 0.334 . . . . 0.0 110.769 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -115.68 -40.14 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.204 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -81.67 1.02 36.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.695 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.74 62.56 2.4 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.911 0.386 . . . . 0.0 111.21 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -123.32 -8.83 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.651 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.78 -11.33 69.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.582 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -126.36 143.33 51.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.735 0.302 . . . . 0.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.706 HD13 ' HB3' ' A' ' 104' ' ' PHE . 28.8 mt -108.43 133.42 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.902 0.382 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.06 168.44 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -43.25 90.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -21.45 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -85.6 -58.62 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 111.039 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.67 HD21 ' CD2' ' A' ' 136' ' ' LEU . 20.8 tp -48.71 -28.91 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.449 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -20.04 56.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.453 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.4 mt -67.13 -59.02 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.208 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.442 ' HE2' ' HG ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -55.32 -30.08 59.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.697 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.622 HD11 HD12 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -65.94 -31.82 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -72.09 -29.25 63.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.92 -15.88 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.563 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.3 p -65.99 169.9 6.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.769 0.319 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -90.61 -4.1 70.64 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.767 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.57 -178.49 3.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.856 0.36 . . . . 0.0 110.795 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.0 p -120.15 117.84 28.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 133' ' ' ILE . 17.2 mm -116.29 145.08 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -83.44 173.67 11.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.442 ' H ' HG22 ' A' ' 129' ' ' THR . 2.9 mm-40 -81.43 -31.99 32.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.41 -49.75 65.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -51.9 -37.9 54.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 128' ' ' ILE . 29.3 mm -79.23 -40.07 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.305 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.57 -24.36 13.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.294 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.5 17.1 10.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.348 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.67 ' CD2' HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -101.91 -30.18 11.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.844 0.354 . . . . 0.0 110.942 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.455 ' HE1' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -78.44 -43.1 28.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -41.25 87.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.402 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -89.48 8.64 30.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.321 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -126.98 0.61 7.18 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.667 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.25 106.87 13.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.802 0.334 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -75.9 -39.01 57.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -86.69 -2.67 58.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.7 p30 44.11 36.77 1.58 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.723 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -78.11 -36.47 47.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.921 0.391 . . . . 0.0 110.771 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 133.0 -7.17 5.13 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -141.21 151.73 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.455 HD12 ' HE1' ' A' ' 137' ' ' MET . 23.8 mt -108.37 133.19 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.232 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.5 p30 -104.34 -176.51 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.822 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.582 ' CE1' HD13 ' A' ' 154' ' ' LEU . 33.9 t80 -62.53 -43.08 99.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.019 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -57.45 -53.13 61.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.61 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.413 ' HB2' HG23 ' A' ' 148' ' ' ILE . 29.4 mt-10 -63.64 -50.18 70.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.399 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.675 ' CE2' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -61.16 -25.81 67.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.244 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' A' ' 150' ' ' TYR . 2.4 tp -59.26 -33.99 71.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 0.0 110.782 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.87 -33.85 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.727 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.402 ' CE1' ' O ' ' A' ' 139' ' ' ASP . 5.1 t80 -54.74 -22.85 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.646 ' HG3' HD21 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -73.61 -71.35 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.056 179.435 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.514 ' HG2' HD11 ' A' ' 154' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.604 0.24 . . . . 0.0 111.521 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -26.95 54.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.768 0.318 . . . . 0.0 110.656 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -74.76 -24.43 58.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 94' ' ' GLU . 15.6 mt -56.3 -21.91 27.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.6 t -68.04 -45.79 72.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 0.0 110.676 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.47 -43.25 93.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.89 -27.59 61.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.959 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.13 -41.19 98.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -59.25 -40.94 87.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.1 mmm -52.3 -29.37 23.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.75 -20.17 53.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.008 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -93.27 145.27 24.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.503 ' HG3' HD12 ' A' ' 119' ' ' ILE . 3.0 mmpt? -99.65 -34.33 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -115.08 16.35 17.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.501 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.69 72.78 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.75 0.31 . . . . 0.0 111.574 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -115.03 -14.2 11.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.414 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.25 -15.71 60.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.616 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 20.6 m-85 -130.41 139.38 50.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.766 0.317 . . . . 0.0 110.651 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.66 133.14 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -107.68 -177.4 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.77 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.07 -30.94 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.33 -60.38 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.96 -48.53 78.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.574 ' O ' HD12 ' A' ' 121' ' ' LEU . 14.0 tp -54.71 -28.26 46.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -76.88 -30.54 56.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.503 HD12 ' HG3' ' A' ' 106' ' ' LYS . 46.3 mt -70.17 -53.1 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.6 ttp -56.41 -36.49 69.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.629 HD13 HG12 ' A' ' 133' ' ' ILE . 3.7 mt -74.62 -36.82 62.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -68.64 -30.02 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.682 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.04 68.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.6 p -64.43 177.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -106.36 4.55 37.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.836 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -93.28 -178.88 4.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.9 p -113.48 114.99 27.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.54 133.52 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 132' ' ' ASP . 3.3 t -83.07 174.61 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -76.68 -34.12 58.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -49.76 72.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.661 ' H ' HG23 ' A' ' 129' ' ' THR . 5.4 t70 -56.21 -39.21 72.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.629 HG12 HD13 ' A' ' 121' ' ' LEU . 24.6 mt -71.72 -45.31 66.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.255 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.58 -50.4 73.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -28.57 70.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -32.16 73.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -36.77 84.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -70.93 -28.07 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -77.97 -4.44 46.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.424 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.443 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.05 -26.45 1.69 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.563 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.86 95.29 9.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -68.7 -26.14 65.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -102.16 3.46 38.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.419 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.6 t30 46.76 37.55 4.85 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.771 0.319 . . . . 0.0 111.449 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.08 -1.39 44.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.365 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.75 -16.11 58.96 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.783 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -133.85 145.73 49.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.72 HG23 ' HB2' ' A' ' 152' ' ' GLU . 19.8 mt -109.27 129.49 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.226 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.439 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 56.0 p-10 -103.83 -178.72 3.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -59.05 -21.1 58.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.317 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.37 -53.15 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.336 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.72 ' HB2' HG23 ' A' ' 148' ' ' ILE . 8.7 mt-10 -67.57 -35.9 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.954 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -24.79 59.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.18 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.514 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -56.35 -36.41 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.982 0.42 . . . . 0.0 110.785 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -23.62 56.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.998 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.443 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -68.59 -7.47 33.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.615 -179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.94 12.58 9.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.684 0.278 . . . . 0.0 110.984 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 34.6 tttm . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.396 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.656 0.265 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.49 10.41 41.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.305 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.12 -28.23 12.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.227 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 97' ' ' LEU . 17.8 mt -69.64 -14.83 63.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.344 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -51.89 19.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -34.55 73.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.78 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.513 HD23 ' SD ' ' A' ' 103' ' ' MET . 0.8 OUTLIER -73.8 -20.48 60.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -74.2 -36.83 64.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.194 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -50.94 71.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.398 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' MET . . . . . 0.513 ' SD ' HD23 ' A' ' 100' ' ' LEU . 17.2 ptm -52.27 -42.87 64.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 110.75 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -58.87 -29.61 67.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.679 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -87.17 143.72 27.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.659 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.529 ' HE3' HG21 ' A' ' 119' ' ' ILE . 1.7 tppt? -107.93 -46.21 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.153 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -88.44 8.29 28.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.66 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.45 73.17 0.16 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.777 0.322 . . . . 0.0 111.541 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -124.08 -4.62 7.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.652 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.4 -4.35 73.32 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.609 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -139.59 144.06 37.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.728 0.299 . . . . 0.0 110.524 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.452 HD13 ' HE2' ' A' ' 153' ' ' PHE . 2.5 mt -108.63 133.6 53.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.211 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -107.46 177.55 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.852 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -28.98 70.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.291 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -69.75 -61.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.103 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.28 -43.62 74.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.454 HD23 ' CG2' ' A' ' 133' ' ' ILE . 35.5 tp -57.28 -24.0 52.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.287 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.582 ' HA ' HD12 ' A' ' 121' ' ' LEU . 35.8 tttp -87.07 -27.32 23.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.243 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.529 HG21 ' HE3' ' A' ' 106' ' ' LYS . 35.7 mt -65.46 -55.08 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.93 -28.12 6.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.267 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 133' ' ' ILE . 47.0 mt -66.27 -37.06 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.81 -29.26 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.73 -21.59 60.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.454 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.2 p -75.8 179.03 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -108.2 3.03 33.14 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.83 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.01 -177.62 3.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.354 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 70.7 p -122.68 109.06 13.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.7 mm -108.35 144.1 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.633 HG23 ' H ' ' A' ' 132' ' ' ASP . 14.1 t -90.65 164.02 14.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.76 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -70.02 -34.52 73.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.261 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.31 -48.6 81.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.633 ' H ' HG23 ' A' ' 129' ' ' THR . 15.2 m-20 -57.04 -38.16 72.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.582 ' CD1' HD11 ' A' ' 121' ' ' LEU . 41.8 mm -74.23 -46.53 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.224 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -52.88 -40.49 63.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.45 -27.97 63.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.401 HD22 HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.62 -31.06 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.002 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -44.03 25.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -63.89 -29.56 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.414 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 5.2 t0 -92.36 -1.29 57.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.521 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.29 1.27 9.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.777 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.42 108.21 15.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.96 0.41 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -85.69 -34.85 21.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -83.72 -6.87 59.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.83 24.14 10.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.414 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -65.82 -37.82 87.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.98 0.419 . . . . 0.0 110.677 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.4 4.46 10.93 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.965 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -144.0 157.76 44.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.813 0.34 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 52.5 mt -108.91 126.6 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.8 p30 -103.68 170.63 7.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -65.62 -20.51 66.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.345 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.74 -58.87 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 111.075 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.445 ' HG3' HG23 ' A' ' 148' ' ' ILE . 10.0 pt-20 -69.22 -34.97 75.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.665 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -61.09 -29.3 69.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.745 0.307 . . . . 0.0 110.941 -179.783 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -35.76 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -92.89 -35.51 13.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' A' ' 139' ' ' ASP . 46.0 t80 -68.54 -45.67 71.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -2.14 38.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.166 0 CA-C-O 121.195 0.522 . . . . 0.0 109.791 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 97' ' ' LEU . 11.6 mt-10 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.634 0.255 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.89 -22.12 21.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.834 0.35 . . . . 0.0 110.783 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.02 -26.1 43.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.993 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 94' ' ' GLU . 5.4 mt -54.41 -24.04 18.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -67.44 -41.79 84.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.763 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.64 -40.08 86.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -31.11 60.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 150' ' ' TYR . 14.7 t80 -57.72 -50.6 72.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -56.88 -41.8 78.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.5 mtt -54.85 -27.2 40.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.509 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -84.23 -24.51 30.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.24 149.3 21.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.771 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.669 ' HG3' HD12 ' A' ' 119' ' ' ILE . 4.8 mmtm -116.21 -45.18 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -80.4 0.08 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.772 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.93 71.04 0.31 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.927 0.394 . . . . 0.0 111.628 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -123.16 -30.52 3.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.17 -3.45 10.55 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.537 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.408 ' HB3' ' HB3' ' A' ' 147' ' ' ARG . 38.7 m-85 -137.84 147.51 44.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.699 0.285 . . . . 0.0 110.541 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.509 HD13 ' HB3' ' A' ' 104' ' ' PHE . 18.9 mt -108.66 135.64 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.345 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -108.39 176.89 4.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.775 ' HA ' HD12 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -63.55 -28.47 69.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.183 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.48 -57.42 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.98 -40.2 66.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 114' ' ' LEU . 48.1 mt -54.42 -29.29 48.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -89.66 -5.76 56.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.513 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.669 HD12 ' HG3' ' A' ' 106' ' ' LYS . 26.2 mt -91.0 -67.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.614 0.245 . . . . 0.0 111.427 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.651 ' HE2' ' HB2' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -57.92 -21.44 43.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.032 -179.776 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.752 HD11 ' CG2' ' A' ' 128' ' ' ILE . 5.9 tt -69.39 -30.48 68.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.579 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -69.46 -28.05 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.68 -9.15 58.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.651 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.6 p -65.3 -174.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.003 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -103.53 -17.55 17.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.712 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.618 ' HG3' HD11 ' A' ' 128' ' ' ILE . 4.9 pt-20 -105.82 -176.58 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.99 128.73 55.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.752 ' CG2' HD11 ' A' ' 121' ' ' LEU . 5.1 mp -133.14 131.98 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.035 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.0 t -84.21 169.59 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.782 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -63.57 -23.32 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.104 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.69 -55.76 23.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.89 -33.95 62.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.646 HG23 ' HB3' ' A' ' 117' ' ' LEU . 35.6 mt -64.37 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -46.65 89.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -30.58 68.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -32.91 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.504 ' CE ' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -77.4 -43.08 33.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -62.68 -25.59 68.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -100.2 0.29 40.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.86 -27.97 1.47 Allowed Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.846 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.2 97.66 11.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -31.34 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -83.64 -8.1 59.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 58.85 25.87 14.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.445 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -78.12 -3.15 40.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.381 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.21 -9.09 76.43 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.608 -0.805 . . . . 0.0 113.007 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.408 ' HB3' ' HB3' ' A' ' 111' ' ' TYR . 8.2 mmt85 -133.55 155.7 49.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 56.1 mt -108.53 123.84 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.184 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.405 ' OD2' ' CZ ' ' A' ' 111' ' ' TYR . 7.0 t70 -103.61 168.37 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 31.5 t80 -57.36 -41.8 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.017 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.81 -52.99 63.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.18 -40.84 86.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.263 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -27.01 67.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.504 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 13.1 mt -53.69 -37.14 62.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 158' ' ' LYS . 0.4 OUTLIER -80.09 -28.03 39.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.096 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.418 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.7 -54.18 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.56 2.48 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.747 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.15 0.5 . . . . 0.0 109.949 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.498 ' HG2' HD11 ' A' ' 154' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -30.79 46.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 0.0 110.687 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -21.67 55.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.4 mt -56.41 -21.69 26.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.318 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 150' ' ' TYR . 70.9 p -69.84 -39.0 76.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.783 0.325 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.73 -42.44 93.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.0 -22.15 64.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.95 -50.13 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.993 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -33.26 68.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 mtt -57.47 -30.15 64.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -8.7 59.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.9 140.69 33.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.8 0.333 . . . . 0.0 110.806 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.73 -36.75 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.278 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -99.64 8.37 44.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.537 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.4 71.02 0.3 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.784 0.326 . . . . 0.0 111.5 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -120.07 -7.16 9.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.476 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.89 -15.65 62.24 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.515 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -128.89 144.61 51.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.74 0.305 . . . . 0.0 110.754 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mt -108.74 131.62 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -109.12 174.57 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.617 HD13 HD21 ' A' ' 117' ' ' LEU . 4.3 mm? -67.96 -30.84 70.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.081 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.04 -32.22 63.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.092 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.31 -65.19 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.562 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 118' ' ' LYS . 4.1 pp -49.39 -27.04 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.761 ' N ' HD12 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -66.42 -15.16 63.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.195 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.463 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 26.2 mt -90.38 -49.92 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 111.468 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.597 ' O ' HG22 ' A' ' 124' ' ' THR . 0.3 OUTLIER -59.78 -31.96 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.919 -179.212 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 122' ' ' GLN . 4.2 pp -82.74 -41.43 19.25 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.652 ' N ' HD12 ' A' ' 121' ' ' LEU . 20.5 pt20 -64.58 -45.72 85.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 122' ' ' GLN . . . -56.81 -22.36 35.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.214 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 120' ' ' MET . 9.5 t -119.91 107.36 13.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.95 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.13 26.95 11.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.612 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -122.25 -11.0 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 p -111.13 -164.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.725 0.298 . . . . 0.0 111.087 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.586 ' HB ' HD11 ' A' ' 133' ' ' ILE . 3.2 mp -49.69 129.77 7.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.915 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.3 m -79.07 165.79 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -23.74 8.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.685 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -61.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 111.178 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.409 ' CB ' ' CG2' ' A' ' 128' ' ' ILE . 0.7 OUTLIER -59.64 -34.63 73.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.602 -179.513 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.647 ' CG2' HD13 ' A' ' 117' ' ' LEU . 44.8 mm -67.1 -57.29 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.707 0.289 . . . . 0.0 111.395 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -48.25 -29.42 3.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.29 -30.27 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -30.53 70.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.578 ' HG2' HD21 ' A' ' 114' ' ' LEU . 4.6 tpt -57.76 -49.12 77.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.35 -26.28 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -99.21 11.05 40.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.502 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.42 -34.76 0.74 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.38 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.57 99.57 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -80.59 -36.07 33.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -84.53 -6.4 59.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 48.83 27.81 1.71 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 111.63 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -73.81 -36.06 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.495 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.86 -9.59 3.36 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.814 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -141.83 161.87 36.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.755 0.312 . . . . 0.0 110.694 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.603 HG23 ' HG3' ' A' ' 152' ' ' GLU . 24.2 mt -108.14 126.28 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.938 0.399 . . . . 0.0 111.211 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.0 p30 -103.67 179.34 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.459 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 98' ' ' SER . 27.7 t80 -71.38 -19.42 62.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.284 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.35 -60.31 2.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.0 111.018 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.603 ' HG3' HG23 ' A' ' 148' ' ' ILE . 6.0 pt-20 -67.93 -36.96 81.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.814 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -59.81 -25.51 65.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.715 0.293 . . . . 0.0 110.89 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.498 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -57.98 -33.23 68.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.81 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.27 -30.95 33.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.74 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.34 -26.13 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.863 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.68 -73.98 0.39 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.384 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.406 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -27.86 0.21 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.465 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.86 -26.25 5.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.107 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.56 -15.81 28.12 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.16 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 7.6 t -75.26 -23.72 57.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.76 -44.15 69.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.679 HD13 ' N ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -71.34 -12.81 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.55 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 150' ' ' TYR . 10.2 t80 -69.62 -47.82 62.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.691 0.282 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -31.35 72.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.5 mmt -59.83 -36.66 77.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.76 -16.08 60.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.239 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.78 145.72 24.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.788 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -110.29 -36.32 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.084 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -100.97 4.19 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.435 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.62 59.94 4.02 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.859 0.362 . . . . 0.0 111.228 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -105.82 -8.14 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.428 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.67 -16.29 59.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.783 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -129.71 157.38 42.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 110.77 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.39 138.66 48.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -115.92 -176.07 2.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.35 -24.78 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.44 -37.68 65.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.296 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.744 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -82.19 -46.81 13.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 111.151 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 26.7 tp -50.84 -26.0 5.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.544 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.05 -27.19 30.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.319 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 116' ' ' GLU . 39.7 mt -69.24 -55.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.264 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptm -58.92 -20.3 50.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.377 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.653 HD22 HG13 ' A' ' 128' ' ' ILE . 17.0 mt -83.95 -43.32 15.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.363 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -64.29 -41.99 96.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.011 0.434 . . . . 0.0 110.719 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.24 52.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.394 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.2 p -57.14 -170.33 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -97.84 -15.18 37.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.765 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.64 -179.89 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.95 116.76 25.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.653 HG13 HD22 ' A' ' 121' ' ' LEU . 23.6 mm -104.6 142.75 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.9 p -82.67 -176.2 6.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.475 ' HA ' HD12 ' A' ' 133' ' ' ILE . 47.8 mt-10 -79.7 -43.56 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.11 -43.21 73.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -35.03 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 130' ' ' GLU . 23.8 mt -74.07 -59.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.039 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -57.03 -31.47 65.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.3 -31.79 72.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -46.53 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.847 ' HA ' HD11 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -57.51 -48.36 79.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -54.43 -24.88 21.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -96.28 -12.95 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.48 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.467 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.39 13.8 8.84 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.794 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -114.66 90.61 3.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -82.57 -39.61 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -86.76 -7.51 58.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.631 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.2 m120 44.59 42.33 5.6 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.718 0.294 . . . . 0.0 111.469 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -85.04 3.67 37.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.48 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 99.83 -6.94 58.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.706 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -153.25 166.92 31.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.747 0.308 . . . . 0.0 110.715 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.894 HG21 ' CD1' ' A' ' 153' ' ' PHE . 90.6 mt -108.22 128.44 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 111.293 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 9.4 p30 -104.15 173.38 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.501 ' O ' HD23 ' A' ' 154' ' ' LEU . 25.7 t80 -57.88 -28.24 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.385 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ASP . . . . . 0.412 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 0.7 OUTLIER -68.22 -58.54 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.679 -179.374 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.763 ' HG3' HG23 ' A' ' 148' ' ' ILE . 9.6 pt-20 -76.16 -17.35 59.6 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.894 ' CD1' HG21 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -89.57 -37.47 14.67 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.765 -179.312 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 155' ' ' GLU . 3.7 pp -57.3 -44.43 84.08 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.619 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.699 ' N ' HD12 ' A' ' 154' ' ' LEU . 3.8 mt-10 -63.87 -28.43 69.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.487 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.467 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -52.94 -38.29 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.12 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.5 mtm -99.09 -0.2 42.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.57 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 121.104 0.478 . . . . 0.0 110.068 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.934 0.397 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 -36.01 9.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.966 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -33.64 70.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.28 -25.3 67.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.05 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -38.67 68.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.92 -42.46 99.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.5 mt -67.38 -22.44 65.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CD1' ' CD2' ' A' ' 153' ' ' PHE . 1.9 t80 -62.59 -45.77 91.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.818 0.342 . . . . 0.0 111.061 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -62.33 -31.73 72.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.1 -35.26 74.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.409 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 5.6 m-85 -76.31 -18.32 59.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -87.64 142.32 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.727 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.92 -40.98 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -104.33 11.42 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.38 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.25 56.23 8.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.908 0.385 . . . . 0.0 111.323 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -96.55 -8.67 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.409 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.13 -11.9 70.97 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.646 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -138.27 151.72 47.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.756 0.313 . . . . 0.0 110.771 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 104' ' ' PHE . 17.4 mt -108.69 132.98 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.139 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -107.93 170.85 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.45 -31.56 72.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.78 -47.48 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -55.44 26.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.9 tp -51.53 -27.89 12.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.21 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.791 ' HG3' HD13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -74.3 -27.58 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.987 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.405 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 37.6 mt -62.91 -52.26 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.0 ttp -58.33 -27.8 64.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.34 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.757 HD22 HG12 ' A' ' 133' ' ' ILE . 1.5 mp -77.52 -45.9 24.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.22 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLN . . . . . 0.405 ' HG2' ' HA ' ' A' ' 119' ' ' ILE . 12.4 pt20 -66.86 -44.03 82.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.07 0.462 . . . . 0.0 110.658 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.32 -28.61 65.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.2 156.95 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.64 8.08 76.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.903 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -75.94 155.92 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.18 92.6 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.542 ' HB ' HD23 ' A' ' 121' ' ' LEU . 26.9 mt -127.4 132.25 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.0 t -84.31 168.99 15.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.754 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' GLU . . . . . 0.807 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -61.75 -35.31 77.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.67 -44.12 76.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.051 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.423 ' HB2' HG22 ' A' ' 128' ' ' ILE . 9.1 m-20 -60.62 -33.27 72.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 130' ' ' GLU . 19.5 mt -71.82 -48.68 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -60.07 -51.98 67.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -28.8 64.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -35.85 81.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -46.89 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -26.31 62.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -82.34 -15.62 52.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.219 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.439 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.57 12.09 8.92 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.698 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -117.92 91.85 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.8 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -79.32 -33.07 43.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -87.36 -3.1 59.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.399 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 47.3 29.15 1.18 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 111.485 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -72.92 -35.57 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.717 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 125.31 -5.39 8.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.848 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mtt85 -142.8 153.26 43.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 110.765 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.681 HG23 ' HB2' ' A' ' 152' ' ' GLU . 46.1 mt -108.96 129.66 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -103.72 179.3 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.633 ' O ' HD23 ' A' ' 154' ' ' LEU . 15.6 t80 -56.07 -25.33 44.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.215 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -54.24 7.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.681 ' HB2' HG23 ' A' ' 148' ' ' ILE . 0.8 OUTLIER -76.7 -23.44 53.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.371 -179.62 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.507 ' HB2' HG22 ' A' ' 148' ' ' ILE . 1.8 t80 -80.98 -43.47 19.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.243 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.751 HD12 ' N ' ' A' ' 155' ' ' GLU . 3.1 pp -61.37 -42.75 99.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.997 0.427 . . . . 0.0 110.648 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -60.93 -34.35 74.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.584 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -49.86 -25.51 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.684 -179.888 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.62 0.26 15.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.695 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp . . . . . 0 C--N 1.33 -0.249 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.973 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.687 ' HA ' HD12 ' A' ' 97' ' ' LEU . 6.4 mt-10 . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 120.653 0.263 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.23 -38.79 16.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 0.0 110.585 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -64.51 -27.95 69.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.556 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 94' ' ' GLU . 48.2 mt -58.72 -20.79 52.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.568 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 t -52.5 -43.25 64.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.066 0.46 . . . . 0.0 110.898 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -59.31 -38.07 79.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.946 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.628 HD12 HD23 ' A' ' 97' ' ' LEU . 33.2 mt -65.11 -32.25 73.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.76 -52.56 64.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -55.28 -39.71 70.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.4 mtt -55.93 -27.44 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.967 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -81.13 -20.78 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.8 134.64 33.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.834 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -103.35 -43.14 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -95.68 11.57 32.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.467 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.17 71.27 0.31 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.795 0.331 . . . . 0.0 111.401 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -119.87 -4.07 10.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.414 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.18 -10.95 69.01 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.772 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -134.08 151.71 51.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 0.0 110.725 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mt -108.59 118.51 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -107.71 174.64 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.7 -42.21 71.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.38 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -61.27 -53.14 60.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.692 HD22 ' SD ' ' A' ' 137' ' ' MET . 14.1 tp -58.84 -31.03 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -62.63 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 116' ' ' GLU . 10.9 mt -76.66 -41.4 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 ttp -57.03 -45.84 82.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.719 HD12 HG13 ' A' ' 128' ' ' ILE . 4.4 mm? -67.67 -41.94 82.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -65.16 -28.54 69.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.739 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.56 -26.15 68.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.0 p -68.55 -178.64 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -100.05 21.57 44.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.636 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -126.87 174.99 8.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 44.6 p -111.59 123.3 49.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.719 HG13 HD12 ' A' ' 121' ' ' LEU . 19.6 mm -120.74 155.3 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.405 ' N ' HG22 ' A' ' 128' ' ' ILE . 38.6 p -96.01 160.08 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -20.6 59.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.76 -55.45 14.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.27 -43.83 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 29.8 mt -66.44 -28.29 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.42 -31.14 70.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -98.08 24.71 6.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.71 -38.04 8.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.725 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.692 ' SD ' HD22 ' A' ' 117' ' ' LEU . 38.2 mmm -72.43 -23.58 61.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -33.91 73.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.787 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.68 12.31 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.279 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.436 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.36 -35.8 0.68 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.384 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -104.44 118.58 36.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.031 0.443 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -78.75 -21.45 47.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.228 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -89.4 1.97 55.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.292 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.4 t30 49.82 27.96 2.54 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.317 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -71.29 -25.6 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.011 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.38 1.0 47.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.82 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -137.51 149.76 47.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.692 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -109.17 125.51 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.347 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 153' ' ' PHE . 6.2 p30 -103.62 178.83 4.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.693 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.508 ' CE1' HD21 ' A' ' 154' ' ' LEU . 7.6 t80 -61.49 -29.85 70.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.218 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -59.68 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.931 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -63.93 -29.99 71.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.165 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.465 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.57 -42.0 91.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.957 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.508 HD21 ' CE1' ' A' ' 150' ' ' TYR . 1.6 mm? -51.44 -31.93 24.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -87.08 -38.07 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.244 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.436 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -52.02 -25.6 8.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.621 ' SD ' HD22 ' A' ' 97' ' ' LEU . 9.7 mmt -79.51 -73.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.011 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 43.5 mttt . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.12 -179.852 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -95.43 0.01 52.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.584 0.231 . . . . 0.0 111.321 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.28 -28.24 14.15 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 110.794 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.517 HD21 ' HG2' ' A' ' 157' ' ' MET . 4.0 mt -56.84 -22.25 35.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.1 p -69.91 -31.52 69.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -58.64 -48.37 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.724 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.79 -25.01 59.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 150' ' ' TYR . 58.5 t80 -61.52 -54.17 46.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -53.65 -39.95 65.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.3 mmt -54.3 -25.87 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -85.13 -9.62 57.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.38 136.73 35.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.74 0.305 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HB2' HD11 ' A' ' 119' ' ' ILE . 18.8 tptt -107.14 -41.76 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.056 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -101.16 5.63 42.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.556 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.32 80.51 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.673 0.273 . . . . 0.0 111.63 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -127.57 -1.78 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.623 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.59 -14.78 61.72 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.443 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CZ ' ' OD1' ' A' ' 149' ' ' ASP . 37.6 m-85 -133.49 154.03 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.746 0.307 . . . . 0.0 110.344 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.439 HD13 ' HE2' ' A' ' 153' ' ' PHE . 5.4 mt -108.69 140.81 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.167 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -117.9 176.77 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.655 HD23 HD11 ' A' ' 117' ' ' LEU . 38.8 mt -60.69 -36.4 78.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.58 -35.51 80.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -60.44 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -60.87 -16.87 46.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.251 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.507 ' HD3' HD13 ' A' ' 133' ' ' ILE . 8.4 mmtm -76.78 -52.3 9.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.675 0.274 . . . . 0.0 111.359 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.419 HD11 ' HB2' ' A' ' 106' ' ' LYS . 17.9 pt -56.21 -42.58 73.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.511 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.478 ' HE3' ' HG ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -69.33 -29.53 67.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.128 -179.67 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.79 HD13 HG12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -74.37 -45.65 45.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.962 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -27.26 69.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.42 -5.82 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.701 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 121' ' ' LEU . 42.9 p -66.64 -173.5 0.23 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -99.76 -10.75 45.8 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.859 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -113.28 -178.38 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 128' ' ' ILE . 22.0 p -111.34 126.35 54.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.422 HD13 ' O ' ' A' ' 127' ' ' THR . 30.9 mm -121.15 143.74 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 132' ' ' ASP . 2.5 t -80.34 164.24 23.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -31.6 69.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -48.89 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.11 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.594 ' H ' HG23 ' A' ' 129' ' ' THR . 20.1 m-20 -59.25 -40.86 87.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.041 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.79 HG12 HD13 ' A' ' 121' ' ' LEU . 34.1 mt -69.26 -26.26 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.29 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -81.43 -28.72 34.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.057 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.06 -25.08 65.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.44 -47.69 81.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.091 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.473 ' SD ' HD21 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -61.94 -38.1 87.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.021 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -57.57 -41.62 81.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.411 ' O ' ' CZ ' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -99.46 23.52 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.197 -179.783 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.429 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -132.61 -37.65 0.26 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.274 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.94 112.34 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -36.71 15.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.99 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -82.79 -9.49 59.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.1 t30 57.29 24.44 9.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.404 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -74.8 -16.22 60.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.712 0.292 . . . . 0.0 111.277 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 110.73 -3.08 28.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.012 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -143.75 155.82 44.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.637 HG23 ' HG3' ' A' ' 152' ' ' GLU . 22.7 mt -108.72 133.45 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.3 t70 -103.82 178.7 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.584 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.453 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 31.4 t80 -73.17 -19.98 60.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.384 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -56.74 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.722 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.637 ' HG3' HG23 ' A' ' 148' ' ' ILE . 11.4 pt-20 -71.75 -40.63 69.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.946 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.555 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -59.23 -23.31 62.21 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.062 -179.576 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 150' ' ' TYR . 0.2 OUTLIER -59.77 -30.35 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.719 179.784 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -34.56 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.429 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -51.63 -26.43 8.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.845 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 157' ' ' MET . . . . . 0.517 ' HG2' HD21 ' A' ' 97' ' ' LEU . 3.3 tpp -83.83 -72.74 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.558 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.487 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -99.52 5.67 46.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.588 0.232 . . . . 0.0 111.39 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -102.05 -29.53 11.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LEU . . . . . 0.494 ' CD1' HD13 ' A' ' 154' ' ' LEU . 22.3 mt -59.68 -20.39 55.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.003 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -50.95 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 110.604 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -37.99 74.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.518 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.16 -30.61 49.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -58.85 -39.86 82.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -62.13 -42.53 99.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.745 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtt -55.12 -30.51 59.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PHE . . . . . 0.46 ' HB3' HD13 ' A' ' 112' ' ' ILE . 3.3 m-85 -77.82 -27.49 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.679 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -87.24 148.52 25.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LYS . . . . . 0.84 ' HD3' HG21 ' A' ' 119' ' ' ILE . 5.3 mmmt -116.17 -45.15 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.027 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -76.67 -2.09 31.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.789 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.65 63.28 2.23 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.913 0.387 . . . . 0.0 111.402 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -122.02 -27.77 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.8 0.28 17.57 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.677 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -137.76 148.99 46.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.368 . . . . 0.0 110.645 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 104' ' ' PHE . 17.4 mt -110.14 129.89 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.295 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.31 179.67 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.549 HD21 ' HA ' ' A' ' 134' ' ' GLU . 0.1 OUTLIER -63.38 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.165 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -76.64 -26.96 55.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.66 -57.45 3.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.932 0.396 . . . . 0.0 111.091 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.594 ' O ' HD13 ' A' ' 121' ' ' LEU . 36.7 tp -49.8 -27.37 4.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.394 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -76.51 -21.62 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.259 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ILE . . . . . 0.84 HG21 ' HD3' ' A' ' 106' ' ' LYS . 29.2 mm -66.07 -58.63 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.967 0.413 . . . . 0.0 111.176 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.48 ' CE ' HD12 ' A' ' 121' ' ' LEU . 4.8 ttp -54.31 -24.06 17.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.45 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 117' ' ' LEU . 8.9 mp -79.89 -45.2 19.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -69.14 -43.69 73.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.977 0.418 . . . . 0.0 110.589 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.01 69.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.043 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.54 166.76 22.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.99 10.77 69.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.848 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' A' ' 128' ' ' ILE . 1.7 mm-40 -89.39 164.44 14.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -119.35 100.78 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.527 ' HB ' HD23 ' A' ' 121' ' ' LEU . 3.9 mp -121.87 143.16 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 132' ' ' ASP . 2.8 t -83.09 170.65 14.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.78 -30.89 67.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.774 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.8 -48.47 81.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.443 ' H ' HG23 ' A' ' 129' ' ' THR . 0.9 OUTLIER -57.25 -35.68 70.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.515 HG12 HD22 ' A' ' 121' ' ' LEU . 42.3 mt -66.58 -42.5 90.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLU . . . . . 0.549 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -63.18 -50.9 68.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.0 -29.79 71.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -30.37 68.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.007 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' MET . . . . . 0.537 ' SD ' HD22 ' A' ' 117' ' ' LEU . 37.3 mmm -82.49 -33.49 28.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.66 -24.75 67.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ASP . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -96.88 1.76 50.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.597 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.431 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.11 -29.85 1.17 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.553 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.31 97.38 6.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.703 0.287 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -80.96 -34.02 33.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.97 -4.88 59.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.181 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.7 m120 52.27 27.32 4.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.458 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.87 -34.86 62.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.042 0.449 . . . . 0.0 110.538 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 127.94 -0.61 6.68 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.825 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -143.88 162.29 36.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.496 HG21 ' CD2' ' A' ' 153' ' ' PHE . 50.2 mt -108.19 125.91 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.226 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.2 p30 -103.69 164.62 11.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.973 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.456 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 27.5 t80 -59.52 -20.97 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.295 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.81 -59.26 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.038 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.02 -30.67 65.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.58 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.496 ' CD2' HG21 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -68.28 -35.34 77.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.984 0.421 . . . . 0.0 110.575 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -49.27 -38.91 28.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -75.92 -28.1 57.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -58.54 -26.79 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.91 -1.35 14.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.644 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 121.242 0.544 . . . . 0.0 109.749 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . 0.688 ' HG2' HD11 ' A' ' 154' ' ' LEU . 21.5 mt-10 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 111.588 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.51 -31.94 60.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.702 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -24.84 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.94 -16.71 60.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.234 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' SER . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 15.2 t -60.76 -42.9 98.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -59.51 -41.33 89.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 100' ' ' LEU . 1.6 mm? -61.81 -25.59 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.023 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' A' ' 150' ' ' TYR . 11.3 t80 -60.78 -44.2 97.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -57.68 -39.49 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.8 mtm -56.78 -29.81 63.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -23.11 41.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.2 146.23 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -40.9 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.044 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -91.68 4.1 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.604 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.66 67.97 0.69 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.853 0.359 . . . . 0.0 111.38 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -119.98 -6.8 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.488 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.73 -13.8 66.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.543 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 26.2 m-85 -133.85 144.28 48.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.686 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.82 135.76 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -112.02 -178.86 3.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.7 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.461 HD13 HG22 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -62.08 -29.99 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.22 -51.76 58.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.33 -48.14 77.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.02 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.505 ' O ' HD12 ' A' ' 121' ' ' LEU . 41.2 mt -53.5 -29.85 38.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -77.84 -22.64 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.4 mt -85.88 -57.9 3.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.8 ttp -52.76 -28.32 21.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 117' ' ' LEU . 60.0 mt -83.28 -27.95 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -27.53 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.73 -7.92 59.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.644 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 121' ' ' LEU . 30.0 p -74.73 -172.06 1.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.822 0.344 . . . . 0.0 110.978 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.34 -5.91 22.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.925 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -100.4 178.39 4.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.1 p -109.62 127.5 54.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.8 mp -133.04 128.73 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.042 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' THR . . . . . 0.542 HG23 ' H ' ' A' ' 132' ' ' ASP . 8.9 t -79.37 176.81 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.981 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.51 -31.55 67.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.65 -49.67 70.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ASP . . . . . 0.542 ' H ' HG23 ' A' ' 129' ' ' THR . 0.1 OUTLIER -53.6 -34.74 59.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ILE . . . . . 0.461 HG22 HD13 ' A' ' 114' ' ' LEU . 37.1 mt -72.61 -40.14 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.29 -45.39 88.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.73 -29.83 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -45.65 92.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -34.46 72.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -27.71 65.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -73.97 -10.02 59.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.382 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLY . . . . . 0.462 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.84 -23.18 2.31 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.832 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.25 88.14 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.966 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -75.2 -31.84 61.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.719 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -89.68 -5.93 56.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.0 m120 52.2 37.11 21.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.638 0.256 . . . . 0.0 111.555 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -84.87 3.45 37.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.387 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.57 -12.12 69.43 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.71 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -140.9 157.2 45.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.469 HG23 ' HG3' ' A' ' 152' ' ' GLU . 59.4 mt -109.11 125.84 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.299 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.2 p30 -103.39 170.89 7.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.692 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' TYR . . . . . 0.719 ' CE1' HD23 ' A' ' 154' ' ' LEU . 17.4 t80 -60.47 -21.3 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.356 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.49 -58.48 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.083 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' GLU . . . . . 0.469 ' HG3' HG23 ' A' ' 148' ' ' ILE . 11.4 pt-20 -74.44 -30.41 61.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.859 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 153' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.2 OUTLIER -65.98 -33.2 75.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.583 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 154' ' ' LEU . . . . . 0.719 HD23 ' CE1' ' A' ' 150' ' ' TYR . 0.2 OUTLIER -50.24 -30.29 11.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.4 -25.46 42.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' PHE . . . . . 0.462 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.65 -18.95 34.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.175 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.24 20.63 16.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.831 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.189 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.843 0.354 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 p -99.25 -39.54 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.26 -48.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m -84.94 110.4 18.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.0 tpt -158.73 130.25 6.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.7 tttt 60.76 -174.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -96.9 164.07 12.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.1 120.41 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.5 t -125.83 78.91 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -178.32 0.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.95 -112.96 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -88.99 115.37 26.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.852 0.358 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.3 t -111.65 -168.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -56.91 -50.67 71.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.965 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -44.51 -29.49 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.432 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -56.15 -30.42 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.36 -14.5 62.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.1 p -59.92 -34.21 72.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.813 0.34 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -69.52 -30.29 68.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -80.55 -30.82 37.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 150' ' ' TYR . 15.7 t80 -65.72 -43.24 89.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.06 -34.0 75.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.805 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.5 mmm -58.52 -36.51 73.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.572 ' HB3' HD13 ' A' ' 112' ' ' ILE . 5.4 m-85 -71.01 -23.13 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.054 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.38 145.82 24.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.721 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.66 -38.02 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -97.2 3.33 51.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.416 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.92 67.64 0.87 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.818 0.342 . . . . 0.0 111.496 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -116.47 -8.11 11.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.343 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.99 -16.99 59.16 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.614 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.78 140.13 52.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.659 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.572 HD13 ' HB3' ' A' ' 104' ' ' PHE . 18.3 mt -108.56 135.17 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.18 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -108.09 -179.71 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.57 HD21 ' HG2' ' A' ' 134' ' ' GLU . 2.4 mp -65.71 -32.72 74.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -73.33 -40.05 64.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.752 ' HA ' HD12 ' A' ' 119' ' ' ILE . 4.7 mt-10 -68.38 -60.48 2.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.93 -27.62 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.49 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -67.21 -38.99 86.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.044 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 116' ' ' GLU . 6.8 mt -61.28 -45.87 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -63.14 -29.3 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.27 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.622 HD13 HG12 ' A' ' 133' ' ' ILE . 18.9 mt -77.89 -49.02 15.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.253 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -58.61 -42.43 88.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.085 0.469 . . . . 0.0 110.615 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.74 30.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.711 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 121' ' ' LEU . 20.9 p -59.63 172.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.46 -11.42 82.02 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.864 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.42 -178.29 3.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.05 123.92 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.9 mm -114.26 139.89 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.25 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 130' ' ' GLU . 2.1 m -86.58 170.06 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.792 ' HA ' HD12 ' A' ' 133' ' ' ILE . 8.8 mt-10 -64.81 -38.39 90.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.52 -45.36 91.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.91 -40.39 95.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 130' ' ' GLU . 13.1 mt -64.28 -40.46 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.57 ' HG2' HD21 ' A' ' 114' ' ' LEU . 2.2 tm-20 -69.84 -33.0 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.57 -29.92 68.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.04 -36.25 69.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.3 mmt -63.53 -56.06 19.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -63.15 -23.99 67.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 3.6 m-20 -80.86 -15.25 56.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.451 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.452 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -122.53 -4.88 8.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.861 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -101.86 93.23 5.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -30.37 27.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -86.68 -3.65 59.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.285 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 45.96 42.01 8.77 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.777 0.322 . . . . 0.0 111.596 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -86.26 -34.37 20.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.982 0.42 . . . . 0.0 110.566 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 130.06 -4.89 6.05 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.743 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -149.68 160.8 43.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.473 HG23 ' HG3' ' A' ' 152' ' ' GLU . 28.2 mt -108.62 128.75 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.184 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.5 p30 -102.86 167.55 9.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . 88.8 t80 -56.45 -28.25 59.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.76 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.25 -60.23 2.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.754 0.311 . . . . 0.0 111.233 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.473 ' HG3' HG23 ' A' ' 148' ' ' ILE . 14.5 pt-20 -71.33 -27.47 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.855 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.3 OUTLIER -72.55 -35.48 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.719 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 154' ' ' LEU . 1.6 tp -52.24 -41.19 62.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.799 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.42 -27.41 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.734 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.452 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.07 -50.07 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.7 mmt -80.95 0.25 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.59 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -98.75 41.65 1.13 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.079 0.466 . . . . 0.0 110.024 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 116.32 123.22 3.5 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.79 35.64 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.862 0.363 . . . . 0.0 111.204 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.907 0.384 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.5 82.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.45 -38.98 3.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.16 171.76 13.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 43.8 ttm 59.91 63.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.69 -62.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.799 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.97 127.51 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.64 161.74 30.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.98 -71.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -57.27 147.89 24.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.51 -96.98 2.0 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.8 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 73.98 6.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 111.252 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -85.25 -92.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.028 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.443 ' H ' HG23 ' A' ' 93' ' ' THR . 4.7 pt-20 -100.77 -37.58 8.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.232 0.539 . . . . 0.0 110.758 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -56.54 -23.73 42.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.8 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -73.22 -25.81 60.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.995 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.9 mt -53.28 -24.16 10.83 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.384 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.5 t -68.63 -32.75 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.724 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -44.32 67.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -27.95 61.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -56.62 -42.12 78.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.8 mmt-85 -60.15 -36.04 76.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 41.6 mmm -54.93 -35.23 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -73.92 -20.91 60.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.41 136.98 32.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HD3' HG21 ' A' ' 119' ' ' ILE . 31.4 tptt -107.69 -50.14 3.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -89.54 6.42 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.518 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.96 70.15 0.43 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.822 0.344 . . . . 0.0 111.386 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -116.98 -3.18 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.509 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.4 -5.9 67.95 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.637 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 29.2 m-85 -143.95 163.28 33.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.755 0.312 . . . . 0.0 110.786 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.795 HD13 ' CE2' ' A' ' 153' ' ' PHE . 1.9 mp -117.72 125.44 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.075 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -107.18 178.23 4.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.47 HD23 ' SD ' ' A' ' 137' ' ' MET . 20.5 mt -63.46 -34.87 78.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.971 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -73.09 -23.1 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.235 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.39 -55.42 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' A' ' 136' ' ' LEU . 52.8 tp -50.51 -29.75 11.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.392 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.568 ' HA ' HG21 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -73.62 -20.21 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.139 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.527 HG21 ' HD3' ' A' ' 106' ' ' LYS . 22.6 mm -74.64 -54.77 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.811 0.339 . . . . 0.0 111.066 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -53.74 -26.0 21.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.326 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.539 HD13 HG12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -85.07 -33.43 22.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.953 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -69.12 -30.05 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -24.65 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.281 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.5 p -58.33 174.32 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.62 9.76 75.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.841 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.429 ' OE1' HD11 ' A' ' 128' ' ' ILE . 8.4 pt-20 -114.99 -177.24 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.321 . . . . 0.0 110.771 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 82.6 p -121.29 115.06 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.782 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 129' ' ' THR . 24.7 mm -113.14 158.29 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.619 HG23 ' H ' ' A' ' 132' ' ' ASP . 4.3 t -94.95 163.78 13.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.16 -24.77 62.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -55.49 11.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.929 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.619 ' H ' HG23 ' A' ' 129' ' ' THR . 1.1 t70 -54.29 -37.07 64.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.074 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.568 HG21 ' HA ' ' A' ' 118' ' ' LYS . 19.2 mt -72.73 -28.35 27.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -70.93 -45.03 64.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -60.63 -30.89 70.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.629 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -60.01 -31.11 69.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.47 ' SD ' HD23 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -70.31 -37.76 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -71.35 -28.87 64.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.02 -3.32 44.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.488 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.96 -27.18 1.58 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.661 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.33 93.48 9.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -62.25 -23.81 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.045 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.24 10.36 18.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.219 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 48.88 38.39 12.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.708 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.34 -6.37 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.63 0.252 . . . . 0.0 111.46 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.81 -16.02 55.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.725 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -131.68 144.15 50.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 152' ' ' GLU . 46.9 mt -110.0 131.88 59.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.601 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.423 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.2 p30 -103.79 178.07 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.562 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -62.66 -21.13 65.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.186 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.25 -53.12 8.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.293 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.531 ' HB2' HG23 ' A' ' 148' ' ' ILE . 21.6 mt-10 -65.93 -40.56 91.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.795 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -67.92 -24.96 65.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.104 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -39.9 70.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.808 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.41 -27.27 34.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.82 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.418 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.46 -45.59 88.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.07 4.72 36.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.481 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -99.31 35.21 1.99 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.223 0.535 . . . . 0.0 109.918 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 117.03 123.78 3.46 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -133.71 42.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 -179.011 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.965 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.801 0.334 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.4 t 68.96 -67.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -95.51 136.57 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.0 p -127.62 -45.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.73 108.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -110.29 -178.46 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.88 132.38 39.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.21 -77.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.787 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t -125.98 170.48 11.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.658 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -171.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.39 -143.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.664 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -68.63 113.72 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.94 -156.53 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.686 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.22 -4.94 32.4 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.476 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.82 -29.87 35.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.813 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.07 -20.72 62.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.424 HD21 ' HG3' ' A' ' 157' ' ' MET . 0.3 OUTLIER -54.9 -23.07 17.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.282 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.3 p -65.79 -46.94 76.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.88 0.371 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.16 -41.52 88.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.58 -30.02 62.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.19 -46.46 88.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -58.87 -35.72 73.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.1 mmt -58.18 -29.85 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 120' ' ' MET . 4.6 m-85 -79.73 -23.75 42.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -90.09 141.05 29.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.767 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -114.25 -44.6 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -85.19 1.09 49.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.451 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.16 71.19 0.34 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.812 0.339 . . . . 0.0 111.464 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -123.05 -1.17 8.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.497 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.76 -11.91 71.04 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.693 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -136.01 145.74 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 0.0 110.708 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.554 HD13 ' HE2' ' A' ' 153' ' ' PHE . 3.2 mt -108.51 128.07 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.167 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -107.45 -175.95 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 tp -66.75 -31.88 72.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.16 -56.56 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.028 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.32 -49.53 76.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.448 HD21 HD22 ' A' ' 136' ' ' LEU . 26.7 tp -57.33 -37.42 72.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.439 ' HA ' HD21 ' A' ' 121' ' ' LEU . 13.7 tttt -54.18 -22.72 12.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.511 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.435 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 23.9 mt -82.41 -32.14 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.017 0.437 . . . . 0.0 111.345 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.495 ' O ' HG23 ' A' ' 124' ' ' THR . 6.4 tmm? -53.19 -40.82 64.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.153 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.74 ' HB2' HD13 ' A' ' 128' ' ' ILE . 0.0 OUTLIER -95.53 -18.79 20.33 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 119' ' ' ILE . 4.0 pt20 -79.46 -45.85 18.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.78 0.324 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 122' ' ' GLN . . . -59.37 -30.84 68.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.302 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 120' ' ' MET . 71.5 p -68.08 170.59 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.39 7.68 79.9 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.896 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.75 ' OE1' HD11 ' A' ' 128' ' ' ILE . 4.7 pt-20 -94.8 173.09 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.2 p -119.24 108.46 14.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.75 HD11 ' OE1' ' A' ' 126' ' ' GLU . 3.2 mp -119.57 142.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -97.62 -175.46 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.454 ' H ' HG22 ' A' ' 129' ' ' THR . 0.3 OUTLIER -85.56 8.92 17.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.475 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.65 -53.75 4.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.844 0.354 . . . . 0.0 110.62 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -30.64 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.041 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.7 mt -72.18 -54.06 17.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -55.07 -28.91 55.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.216 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.06 15.49 15.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.448 HD22 HD21 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -101.81 -31.91 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.491 ' HA ' HD11 ' A' ' 148' ' ' ILE . 2.7 mtp -83.79 -39.55 19.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.838 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -58.3 -30.14 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -81.84 -5.71 58.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.327 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.06 -3.23 8.99 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.783 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.49 93.37 6.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.819 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -77.11 -37.39 54.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -86.88 -2.79 58.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.299 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 51.59 28.42 4.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.475 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -70.05 -36.47 75.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.796 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 124.69 3.31 7.8 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.88 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -150.55 161.07 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.778 0.323 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 137' ' ' MET . 55.6 mt -108.79 127.45 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -103.64 173.96 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.852 ' CZ ' HD11 ' A' ' 154' ' ' LEU . 73.7 t80 -57.58 -28.06 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.182 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -55.0 7.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.455 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -64.61 -38.32 90.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.218 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.554 ' HE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -70.9 -29.15 65.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.852 HD11 ' CZ ' ' A' ' 150' ' ' TYR . 1.2 mp -59.68 -43.61 93.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.47 -31.96 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.724 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.431 ' O ' HG22 ' A' ' 160' ' ' VAL . 2.2 t80 -56.87 -29.95 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.057 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.424 ' HG3' HD21 ' A' ' 97' ' ' LEU . 15.8 mmt -105.19 1.52 28.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.5 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 36.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.025 0.44 . . . . 0.0 110.132 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 109.19 115.02 3.75 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -133.52 53.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.003 0.43 . . . . 0.0 110.999 -179.356 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mtm . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.76 0.314 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.9 m -76.94 161.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 60.19 101.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.014 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.5 p -152.07 -46.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.4 ttp -162.78 142.06 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.89 -47.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.25 93.62 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -132.37 -79.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -126.58 28.55 5.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.095 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -90.76 65.45 5.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.12 168.56 50.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.124 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' HA ' ' HG2' ' A' ' 96' ' ' GLU . 7.4 mmtt -119.42 31.39 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.088 0.47 . . . . 0.0 111.172 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -117.23 -52.98 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.625 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -81.81 -30.05 32.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.657 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -95.84 -8.37 34.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.001 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 92' ' ' LYS . 18.2 mm-40 -89.85 -27.52 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.613 HD21 ' HG2' ' A' ' 157' ' ' MET . 36.8 mt -58.1 -20.84 43.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -65.24 -46.45 80.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.81 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.92 -39.26 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.619 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.96 -28.88 64.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.748 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -62.18 -48.62 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -59.35 -40.18 85.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.794 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -30.22 59.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.64 -19.62 55.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.39 142.09 28.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.652 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -40.07 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.079 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -103.71 11.89 35.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.491 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.8 75.36 0.11 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.558 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -120.5 -6.13 9.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.655 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.62 -10.86 68.75 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.615 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 18.6 m-85 -137.75 153.08 49.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.721 0.296 . . . . 0.0 110.618 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.9 mt -108.46 131.09 59.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 111.042 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -110.56 173.73 6.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.853 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' ' 114' ' ' LEU . 4.1 mp -62.06 -35.93 80.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -29.87 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.173 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' A' ' 119' ' ' ILE . 1.6 mp0 -85.54 -47.18 10.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 136' ' ' LEU . 14.9 tp -55.73 -41.18 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.553 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.2 pttp -59.77 -33.54 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 116' ' ' GLU . 22.9 mt -72.32 -46.99 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 9.2 tmm? -53.43 -30.95 43.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 118' ' ' LYS . 5.5 mt -76.36 -33.05 58.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -68.99 -25.04 64.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.26 -30.96 71.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.6 p -69.25 168.68 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -89.81 11.88 69.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.748 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -110.54 177.47 4.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.4 p -112.42 124.81 53.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.4 mm -120.0 140.6 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.7 t -97.6 -179.1 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.878 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -66.49 -27.69 67.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.999 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.82 -53.9 51.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.08 -37.96 78.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' A' ' 130' ' ' GLU . 17.6 mt -64.69 -48.04 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.84 -31.13 67.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.89 -44.57 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.672 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -60.1 -30.41 69.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.524 ' HE2' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -75.76 -46.03 33.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -27.54 68.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -77.77 -9.67 59.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.456 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.437 ' HA3' ' CD2' ' A' ' 156' ' ' PHE . . . -123.1 -24.62 1.99 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.744 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.0 92.08 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.351 . . . . 0.0 111.158 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.57 -37.26 43.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.712 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -89.36 -5.06 57.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.291 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.69 31.6 6.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.756 0.313 . . . . 0.0 111.402 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -83.36 1.36 41.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.429 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.29 -12.9 67.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.918 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -140.56 151.23 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.524 HD12 ' HE2' ' A' ' 137' ' ' MET . 19.0 mt -108.89 132.48 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.241 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.8 p30 -103.46 178.93 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.71 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -69.59 -19.72 63.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.703 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.37 -56.86 4.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.763 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.441 ' HG3' HG23 ' A' ' 148' ' ' ILE . 6.9 pt-20 -70.76 -37.16 73.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.634 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.3 OUTLIER -64.83 -29.2 70.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.806 0.336 . . . . 0.0 110.907 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.607 ' O ' HD13 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -51.66 -32.55 29.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.615 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -83.64 -27.51 29.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.442 ' O ' HG22 ' A' ' 160' ' ' VAL . 1.6 t80 -51.31 -31.25 20.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.613 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -78.54 -72.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.18 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -61.81 69.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.127 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 117.65 88.14 1.28 Allowed Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.236 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 156' ' ' PHE . 3.4 t -95.99 41.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 111.12 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.2 t 69.17 -65.63 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . 0.413 ' H ' ' HG2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -101.15 -54.67 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.6 t 59.83 114.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 111.045 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 ttt -89.31 136.32 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.771 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -127.32 -66.89 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.043 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -75.83 122.52 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.14 148.6 52.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.5 m -67.28 100.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.97 -171.02 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -101.22 -126.46 5.84 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.419 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 135.46 36.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.771 0.32 . . . . 0.0 110.782 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.5 p -113.65 175.99 5.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.242 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.57 0.58 42.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.404 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -29.84 13.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.04 -32.94 68.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.924 0.392 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.507 HD13 ' HG ' ' A' ' 154' ' ' LEU . 2.4 mt -64.78 -27.28 68.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.084 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -51.02 62.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.05 -28.43 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.76 -30.38 21.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -63.84 -43.08 97.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -56.66 -36.69 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.4 mtt -56.25 -28.0 57.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -88.14 -10.76 48.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.381 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 136.05 44.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.749 0.309 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -115.87 -40.05 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -80.89 0.34 35.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.699 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.15 59.01 4.85 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.934 0.397 . . . . 0.0 111.289 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -120.63 -7.12 9.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.601 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.71 -14.13 64.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.689 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -125.28 148.82 48.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.728 0.299 . . . . 0.0 110.721 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.736 HD13 ' CE2' ' A' ' 153' ' ' PHE . 2.4 mp -115.65 127.39 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.237 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.9 178.65 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.962 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.51 -39.92 89.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -38.02 72.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.03 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.669 ' OE1' HG23 ' A' ' 112' ' ' ILE . 12.4 tt0 -69.34 -62.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.502 HD13 HG21 ' A' ' 112' ' ' ILE . 15.0 tp -49.13 -27.97 3.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.18 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.56 ' HA ' HD21 ' A' ' 121' ' ' LEU . 24.7 mttm -59.55 -29.1 67.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.3 mt -81.66 -41.22 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.419 ' HE2' ' N ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -53.99 -44.15 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.592 HD22 HG12 ' A' ' 133' ' ' ILE . 2.9 pp -72.32 -34.93 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -28.08 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.52 -28.46 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.293 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.4 p -72.82 -178.14 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -110.3 13.71 30.84 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.628 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -103.76 177.85 4.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.4 p -110.01 123.38 49.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.1 mm -122.35 134.35 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 132' ' ' ASP . 8.2 t -86.02 172.19 10.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.489 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.7 pt-20 -72.84 -36.22 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.57 -47.41 86.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.688 ' H ' HG23 ' A' ' 129' ' ' THR . 0.8 OUTLIER -58.61 -38.58 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.592 HG12 HD22 ' A' ' 121' ' ' LEU . 19.9 mt -70.48 -47.07 67.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -58.95 -48.0 83.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.034 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.35 -31.44 71.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -31.83 72.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -44.33 65.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.16 -29.07 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.976 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -82.18 -6.76 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.371 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.458 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.07 -2.38 9.25 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.728 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.34 102.72 12.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.762 0.315 . . . . 0.0 110.801 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -84.03 -36.77 22.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -83.82 -7.7 59.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.235 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 52.35 26.73 4.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.524 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -69.93 -36.12 75.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.702 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 131.66 -0.54 5.04 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.851 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.37 161.26 42.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.826 0.313 . . . . 0.0 110.798 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.445 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 28.6 mt -108.7 127.81 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.27 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 4.3 p30 -103.68 179.64 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.685 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.785 ' O ' HD13 ' A' ' 154' ' ' LEU . 13.5 t80 -60.93 -29.06 69.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.279 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.84 -54.83 10.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.043 0.449 . . . . 0.0 110.402 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.408 ' HB2' HG23 ' A' ' 148' ' ' ILE . 22.8 mt-10 -65.02 -41.62 95.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.405 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.736 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -69.05 -26.25 64.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.721 0.296 . . . . 0.0 111.028 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.785 HD13 ' O ' ' A' ' 150' ' ' TYR . 0.8 OUTLIER -59.41 -37.02 76.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.542 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.27 -29.85 48.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.723 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.458 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.24 -18.06 23.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.288 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.38 17.85 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.702 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -76.31 15.61 0.56 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 119.99 -9.24 11.35 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.261 -0.971 . . . . 0.0 113.728 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 161' ' ' GLU . 35.4 m -46.63 -43.12 5.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.13 0.465 . . . . 0.0 111.415 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.47 ' N ' HG23 ' A' ' 160' ' ' VAL . 1.1 pt-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.772 0.32 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.7 t 69.8 -64.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.194 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.45 101.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -117.84 104.85 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.738 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.1 mtt -91.94 97.16 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.72 -167.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -93.06 -160.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.742 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -50.96 177.22 0.01 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.706 0.289 . . . . 0.0 111.189 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.0 p -113.39 -30.09 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.237 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.69 134.37 43.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.74 28.77 5.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -82.25 59.78 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.01 0.433 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 p -113.41 -148.95 0.44 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.723 ' HG2' HD11 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -71.41 -3.91 23.49 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.658 0.266 . . . . 0.0 111.577 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.54 -28.99 16.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -26.86 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.016 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 100' ' ' LEU . 2.0 mt -55.43 -23.15 23.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m -61.17 -37.05 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.789 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -36.73 85.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 97' ' ' LEU . 6.7 mt -77.16 -31.4 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.441 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 35.3 t80 -59.96 -43.3 95.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -55.63 -38.84 70.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mmt -55.63 -25.02 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -83.91 -22.07 31.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.042 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.17 138.32 36.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.704 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -107.96 -36.41 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -101.04 6.11 43.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.545 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.34 75.3 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.746 0.308 . . . . 0.0 111.36 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -121.57 -3.73 9.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.534 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.68 -17.04 59.4 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 27.8 m-85 -134.12 142.88 47.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.808 0.337 . . . . 0.0 110.69 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.712 HD13 ' CE2' ' A' ' 153' ' ' PHE . 3.7 mp -108.62 135.44 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -107.73 -179.69 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.15 -29.32 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.085 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.06 -55.04 11.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.078 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.757 ' HA ' HD12 ' A' ' 119' ' ' ILE . 3.4 mt-10 -58.73 -50.7 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.653 HD22 ' SD ' ' A' ' 137' ' ' MET . 38.4 tp -50.24 -27.75 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.192 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -64.93 -31.86 73.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 116' ' ' GLU . 4.3 mt -75.68 -44.29 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.032 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.51 -35.93 54.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.656 HD12 ' CD1' ' A' ' 128' ' ' ILE . 3.9 mm? -81.89 -31.32 31.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -27.87 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.72 -32.71 71.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.4 p -75.5 171.61 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -93.58 19.85 50.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.703 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -104.06 171.07 7.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.25 113.18 19.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.656 ' CD1' HD12 ' A' ' 121' ' ' LEU . 4.3 mt -126.03 141.15 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.5 t -85.51 167.32 15.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.455 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.4 tm-20 -67.14 -23.4 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.54 -57.7 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.49 -36.76 69.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 130' ' ' GLU . 20.7 mt -71.18 -30.65 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.9 -50.6 33.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.84 -31.02 69.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.653 ' SD ' HD22 ' A' ' 117' ' ' LEU . 86.9 mmm -80.66 -40.56 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -25.45 63.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -89.79 10.06 24.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.428 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.44 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.56 -34.19 0.77 Allowed Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.309 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.08 96.97 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -72.7 -29.22 63.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -96.62 2.8 52.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.386 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 54.97 24.31 5.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.725 0.298 . . . . 0.0 111.274 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.62 -16.3 60.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.396 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.25 -4.29 67.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.756 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -142.3 154.88 45.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 0.0 110.631 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.402 HG21 ' CG ' ' A' ' 153' ' ' PHE . 61.2 mt -109.14 128.04 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.973 0.416 . . . . 0.0 111.467 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.419 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.3 p30 -103.08 172.95 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.502 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 36.3 t80 -57.32 -24.26 53.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.234 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -53.72 7.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.979 0.418 . . . . 0.0 110.379 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.56 -37.59 85.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.213 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -70.27 -25.85 63.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.679 0.276 . . . . 0.0 111.051 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -61.52 -43.28 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.92 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -71.86 -32.63 67.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.468 ' HB3' ' HE3' ' A' ' 157' ' ' MET . 0.1 OUTLIER -56.81 -38.55 72.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.028 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.468 ' HE3' ' HB3' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -99.49 0.7 42.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.479 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.55 39.94 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.059 0.456 . . . . 0.0 110.019 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 114.0 120.98 3.6 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.34 42.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.926 0.393 . . . . 0.0 111.131 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.861 0.362 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.36 -46.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -144.64 -66.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.46 -55.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 16.6 mmt -78.63 177.39 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.4 mttp 59.77 67.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.761 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -118.87 -67.4 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.65 174.58 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.96 -150.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 72.16 6.3 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.868 0.366 . . . . 0.0 110.576 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.23 141.66 37.3 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.847 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -93.09 88.51 6.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.878 0.37 . . . . 0.0 110.783 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' HG2' ' A' ' 96' ' ' GLU . 17.2 p -113.06 -158.21 0.64 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -6.96 41.12 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.458 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -88.66 -32.09 18.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.831 0.348 . . . . 0.0 110.97 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -73.02 -24.21 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.402 HD21 ' HG3' ' A' ' 157' ' ' MET . 5.5 mt -62.58 -15.61 52.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.429 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.426 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 82.9 p -69.63 -34.57 74.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.48 -38.63 81.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.92 -12.46 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.375 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 150' ' ' TYR . 66.6 t80 -67.6 -42.72 81.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.674 0.273 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -59.53 -31.71 69.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 32.2 mtt -57.42 -31.41 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.973 0.416 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.04 -18.44 53.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.115 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.12 146.14 25.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.829 0.347 . . . . 0.0 110.817 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -115.91 -45.56 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -82.92 -0.11 46.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.528 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.67 57.51 6.55 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.887 0.375 . . . . 0.0 111.413 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -105.59 -11.59 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.409 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.11 -9.84 58.11 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.694 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -138.49 154.13 48.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 110.724 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.775 HD13 ' CE2' ' A' ' 153' ' ' PHE . 1.8 mp -108.32 134.16 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.192 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -111.81 176.42 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.797 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.36 -29.85 69.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.063 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.58 -28.29 65.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.175 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.5 -43.01 10.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 111.008 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 tp -53.52 -25.19 15.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.263 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 133' ' ' ILE . 6.9 ptmt -84.36 -23.86 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.8 mt -66.21 -57.84 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 111.129 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -56.04 -29.25 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.839 HD13 HG21 ' A' ' 128' ' ' ILE . 4.4 mt -75.24 -38.99 60.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.826 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -66.3 -29.89 70.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.43 -22.84 66.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.324 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.2 p -63.81 -169.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -111.7 6.14 27.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.84 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -108.32 178.19 4.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.756 0.312 . . . . 0.0 110.964 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.1 p -105.12 131.81 52.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.839 HG21 HD13 ' A' ' 121' ' ' LEU . 3.2 mp -127.79 131.42 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 132' ' ' ASP . 3.0 t -87.39 176.15 7.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.752 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.02 -32.65 72.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -47.74 81.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.461 ' H ' HG23 ' A' ' 129' ' ' THR . 10.9 t70 -54.66 -44.52 73.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.082 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 118' ' ' LYS . 44.0 mm -58.08 -34.08 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -70.33 -55.19 9.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.096 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.41 -36.75 78.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.11 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.656 HD12 HD11 ' A' ' 121' ' ' LEU . 1.2 tt -60.21 -41.8 93.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.824 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.776 ' HE3' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -72.35 -36.22 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -29.6 69.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 1.2 t0 -69.21 -12.24 61.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.388 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.456 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.24 -22.58 2.58 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.696 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.01 83.21 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.868 0.366 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -79.22 -37.73 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -82.78 -10.56 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 45.69 45.2 11.02 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.479 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -107.25 14.03 26.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.307 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.88 -17.83 58.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.885 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -145.01 157.69 44.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.839 0.352 . . . . 0.0 111.05 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.776 HD12 ' HE3' ' A' ' 137' ' ' MET . 19.1 mt -108.31 132.56 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.286 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.6 p30 -103.22 174.31 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.423 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.716 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 23.7 t80 -62.48 -28.9 70.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 111.455 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.46 -55.94 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 148' ' ' ILE . 5.0 pt-20 -76.17 -34.82 59.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.949 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.775 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -65.54 -34.15 77.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.639 0.257 . . . . 0.0 111.192 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.716 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 9.7 mt -50.54 -29.65 11.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.877 0.37 . . . . 0.0 110.791 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 158' ' ' LYS . 17.0 mt-10 -79.45 -25.38 41.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.456 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.5 OUTLIER -52.37 -25.33 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 0.0 110.687 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.402 ' HG3' HD21 ' A' ' 97' ' ' LEU . 19.6 mmt -101.51 24.09 10.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.186 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 155' ' ' GLU . 17.2 mmtt -77.19 12.49 1.45 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 119.26 -0.87 14.48 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.357 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 161' ' ' GLU . 36.0 m -45.84 -44.73 4.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.986 0.393 . . . . 0.0 111.519 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.479 ' N ' HG23 ' A' ' 160' ' ' VAL . 7.7 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.7 ttm . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.754 0.311 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.29 125.2 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -136.26 114.48 11.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.1 m -105.11 -64.65 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -152.97 154.49 35.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -91.2 135.32 33.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -122.2 -34.09 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.34 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.45 44.29 1.03 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.054 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -125.25 -88.2 0.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -126.51 123.72 38.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.798 0.332 . . . . 0.0 110.967 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.64 -157.64 0.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.556 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 96' ' ' GLU . 38.3 mttm -119.32 61.31 0.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.61 ' HA ' ' HB2' ' A' ' 96' ' ' GLU . 66.2 m -68.96 -27.49 65.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.909 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.77 -38.19 89.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.299 0.571 . . . . 0.0 110.336 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.13 -24.43 14.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.833 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.61 ' HB2' ' HA ' ' A' ' 93' ' ' THR . 3.9 mm-40 -71.01 -25.09 62.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.37 -10.74 59.63 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.55 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.0 p -70.78 -51.39 27.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 111.275 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -56.32 -39.48 72.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 96' ' ' GLU . 0.6 OUTLIER -64.34 -22.05 66.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.325 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' HA ' ' CE2' ' A' ' 153' ' ' PHE . 44.3 t80 -60.96 -50.3 73.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.22 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -31.34 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.186 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -30.97 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.994 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -25.1 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.269 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.46 138.43 31.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.912 0.387 . . . . 0.0 110.995 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -105.11 -44.91 4.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -89.19 7.82 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.364 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 40.65 96.01 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -141.11 -40.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.276 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 136.77 -11.91 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.51 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -135.7 154.22 51.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.781 0.324 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.476 ' CG2' HD21 ' A' ' 117' ' ' LEU . 5.2 mt -108.9 118.96 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.119 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.85 177.41 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.835 ' HG ' HG22 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -56.45 -35.64 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.113 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.45 -46.94 88.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.034 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.36 -48.57 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.476 HD21 ' CG2' ' A' ' 112' ' ' ILE . 18.2 mt -63.85 -40.21 96.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -27.59 66.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.6 mt -89.36 -43.36 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.236 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.46 ' O ' HG23 ' A' ' 124' ' ' THR . 11.6 ttp -64.0 -26.59 68.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.347 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.795 HD12 ' CD1' ' A' ' 133' ' ' ILE . 12.2 mt -84.78 -49.99 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.207 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -58.58 -43.71 89.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.015 0.436 . . . . 0.0 110.55 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.01 -23.16 18.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.518 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 120' ' ' MET . 6.7 p -75.28 177.9 6.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.844 0.354 . . . . 0.0 110.758 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.28 15.5 62.01 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.706 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -115.22 165.03 13.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.323 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.8 p -108.23 126.05 52.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.699 HD13 ' HB3' ' A' ' 121' ' ' LEU . 3.0 mp -128.31 133.91 65.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.9 p -76.57 163.46 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.991 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -31.14 72.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.11 -41.69 99.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.33 -39.86 80.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.835 HG22 ' HG ' ' A' ' 114' ' ' LEU . 34.7 mm -60.54 -29.24 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.66 -45.72 42.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -70.51 -27.44 64.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -57.02 -44.13 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.056 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.414 ' HG3' HD12 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -74.69 -28.19 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.77 -29.64 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.68 -11.45 60.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.465 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.435 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.89 -22.22 2.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.955 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.95 89.55 4.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.876 0.369 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -73.92 -32.31 63.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.734 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -90.3 -1.62 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m120 62.82 17.39 9.87 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.607 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.76 -30.72 71.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.387 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.5 45.91 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -140.31 156.53 46.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.651 HG23 ' HB2' ' A' ' 152' ' ' GLU . 50.4 mt -108.93 116.2 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.23 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -103.91 179.78 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.501 ' O ' HD23 ' A' ' 154' ' ' LEU . 62.2 t80 -51.99 -28.56 17.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.334 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.49 -55.18 6.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.836 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.651 ' HB2' HG23 ' A' ' 148' ' ' ILE . 2.4 mm-40 -60.12 -27.3 66.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.057 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 101' ' ' PHE . 7.7 t80 -65.52 -29.94 70.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.8 mm? -76.0 -41.34 51.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.02 -46.49 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 160' ' ' VAL . 0.4 OUTLIER -45.3 -28.7 0.87 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.406 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 159' ' ' GLY . 18.7 tpp -79.38 -69.82 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.59 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -62.74 66.34 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.337 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 115.3 89.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.202 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 156' ' ' PHE . 3.4 t -92.21 -44.27 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.048 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.814 0.34 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.0 p -93.68 138.01 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -150.08 118.99 6.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m -166.56 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -31.12 70.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -103.41 51.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.99 170.35 16.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -105.45 25.91 10.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.7 p -125.96 145.38 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -125.57 167.79 14.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.48 -175.59 31.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.384 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.417 ' HA ' ' HG3' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -93.18 84.18 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.399 . . . . 0.0 110.841 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.761 HG23 ' H ' ' A' ' 95' ' ' GLU . 10.3 t -113.66 -158.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 97' ' ' LEU . 11.5 mt-10 -69.45 -8.34 45.95 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.403 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.761 ' H ' HG23 ' A' ' 93' ' ' THR . 2.0 tp10 -73.93 -29.8 62.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.375 . . . . 0.0 110.571 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.417 ' HG3' ' HA ' ' A' ' 92' ' ' LYS . 0.7 OUTLIER -74.77 -25.0 58.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 94' ' ' GLU . 26.4 mt -57.49 -20.64 32.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.363 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.5 p -60.66 -41.37 94.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -37.89 89.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.751 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.12 -28.93 63.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -60.16 -50.63 72.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -60.84 -34.66 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.72 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.72 66.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.727 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.636 ' HB3' HD13 ' A' ' 112' ' ' ILE . 7.3 m-85 -80.17 -18.63 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 147.15 25.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.509 ' HG3' HD13 ' A' ' 119' ' ' ILE . 3.7 tmtt? -110.66 -41.98 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -89.97 7.73 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.636 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.37 68.0 0.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.923 0.392 . . . . 0.0 111.628 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -120.63 -30.28 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.88 -6.97 17.48 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.526 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -128.51 142.69 50.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.749 0.309 . . . . 0.0 110.539 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.636 HD13 ' HB3' ' A' ' 104' ' ' PHE . 26.7 mt -108.75 131.96 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.323 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -115.64 -173.01 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.749 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.838 HD11 ' HG2' ' A' ' 134' ' ' GLU . 0.3 OUTLIER -56.43 -37.69 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -63.33 -55.4 24.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.587 ' CB ' HG23 ' A' ' 112' ' ' ILE . 2.2 mp0 -57.76 -37.5 73.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' A' ' 136' ' ' LEU . 30.1 tp -77.15 -12.93 60.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.355 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.569 ' HA ' HG21 ' A' ' 133' ' ' ILE . 5.4 mttp -82.85 -31.18 28.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.146 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.509 HD13 ' HG3' ' A' ' 106' ' ' LYS . 17.5 pt -75.3 -38.23 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.282 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.418 ' HG3' ' CE2' ' A' ' 104' ' ' PHE . 6.1 tmm? -60.99 -52.34 65.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.788 HD13 HG12 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -67.92 -43.0 80.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -63.3 -26.95 69.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.85 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.05 -23.86 67.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 121' ' ' LEU . 21.6 p -58.49 -172.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.328 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -109.23 13.14 33.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.762 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -120.95 -177.6 3.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 110.801 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.619 ' O ' HD13 ' A' ' 128' ' ' ILE . 7.4 p -95.8 129.34 43.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.732 HG21 HD22 ' A' ' 121' ' ' LEU . 20.6 mm -133.5 120.95 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.099 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.7 t -80.96 171.53 14.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.66 -20.12 65.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.368 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.13 -60.32 2.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.767 0.318 . . . . 0.0 111.133 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -29.02 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.352 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.788 HG12 HD13 ' A' ' 121' ' ' LEU . 24.7 mt -85.67 -11.81 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.838 ' HG2' HD11 ' A' ' 114' ' ' LEU . 16.3 mt-10 -88.91 -37.9 14.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.783 0.325 . . . . 0.0 111.059 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.65 -35.33 77.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.133 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.746 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.49 -31.89 69.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.003 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.476 ' HG3' HD12 ' A' ' 114' ' ' LEU . 1.2 mmt -65.7 -40.79 92.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -72.36 -30.2 64.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 2.0 m-20 -68.36 -17.31 64.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.271 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.455 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.58 -19.66 3.06 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.83 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -81.85 94.96 7.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -81.89 -29.37 32.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -84.9 -5.09 59.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.377 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 49.24 27.96 2.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 111.532 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -81.84 -31.22 31.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.707 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 126.33 -7.19 7.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.73 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -140.83 151.93 44.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.799 0.333 . . . . 0.0 110.753 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.594 HG23 ' HB2' ' A' ' 152' ' ' GLU . 47.9 mt -108.63 134.02 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -103.78 176.81 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.776 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.838 ' CZ ' HD11 ' A' ' 154' ' ' LEU . 63.7 t80 -61.0 -21.53 63.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -53.03 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.378 . . . . 0.0 110.416 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.594 ' HB2' HG23 ' A' ' 148' ' ' ILE . 28.4 mt-10 -67.6 -37.51 82.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.203 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.603 ' CE2' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -72.69 -27.15 61.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.154 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.838 HD11 ' CZ ' ' A' ' 150' ' ' TYR . 1.0 OUTLIER -58.59 -36.53 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 110.623 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -76.7 -27.98 55.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.455 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -55.5 -31.88 62.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.98 20.94 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.012 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.69 17.61 0.68 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 119.62 -3.5 13.48 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.757 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 161' ' ' GLU . 20.9 m -46.07 -44.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 117.113 0.457 . . . . 0.0 111.41 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.491 ' N ' HG23 ' A' ' 160' ' ' VAL . 12.5 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 p -110.62 153.21 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -166.12 35.78 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.3 t -150.75 136.98 18.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.1 mtt 60.17 -179.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -129.71 171.43 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -130.55 -166.92 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.66 98.81 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.774 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.2 m -115.93 -10.3 11.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.564 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -42.5 167.76 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.964 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.49 -126.94 0.45 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.932 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -88.38 118.35 27.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.024 0.44 . . . . 0.0 111.36 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.68 -149.67 0.45 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.746 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -5.04 15.78 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.584 0.231 . . . . 0.0 111.596 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -88.04 -24.34 23.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.907 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -70.77 -28.65 64.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.1 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.646 HD21 ' HG3' ' A' ' 157' ' ' MET . 0.4 OUTLIER -53.89 -25.17 18.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.246 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.3 p -74.18 -36.32 64.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.691 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -47.94 82.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.39 -23.5 66.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -63.29 -53.71 48.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.059 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -43.91 74.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.991 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 16.0 mtt -53.94 -27.29 30.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.706 ' HB3' HD13 ' A' ' 112' ' ' ILE . 2.5 m-85 -87.06 -13.53 44.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.372 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -97.63 143.91 27.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.802 0.334 . . . . 0.0 110.769 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -115.68 -40.14 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.204 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -81.67 1.02 36.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.695 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.74 62.56 2.4 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.911 0.386 . . . . 0.0 111.21 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -123.32 -8.83 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.651 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.78 -11.33 69.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.582 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -126.36 143.33 51.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.735 0.302 . . . . 0.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.706 HD13 ' HB3' ' A' ' 104' ' ' PHE . 28.8 mt -108.43 133.42 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.902 0.382 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.06 168.44 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -43.25 90.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -21.45 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -85.6 -58.62 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 111.039 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.67 HD21 ' CD2' ' A' ' 136' ' ' LEU . 20.8 tp -48.71 -28.91 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.449 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -20.04 56.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.453 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.4 mt -67.13 -59.02 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.208 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.442 ' HE2' ' HG ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -55.32 -30.08 59.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.697 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.622 HD11 HD12 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -65.94 -31.82 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -72.09 -29.25 63.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.92 -15.88 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.563 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.3 p -65.99 169.9 6.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.769 0.319 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -90.61 -4.1 70.64 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.767 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.57 -178.49 3.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.856 0.36 . . . . 0.0 110.795 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.0 p -120.15 117.84 28.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 133' ' ' ILE . 17.2 mm -116.29 145.08 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -83.44 173.67 11.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.442 ' H ' HG22 ' A' ' 129' ' ' THR . 2.9 mm-40 -81.43 -31.99 32.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.41 -49.75 65.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -51.9 -37.9 54.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 128' ' ' ILE . 29.3 mm -79.23 -40.07 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.305 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.57 -24.36 13.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.294 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.5 17.1 10.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.348 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.67 ' CD2' HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -101.91 -30.18 11.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.844 0.354 . . . . 0.0 110.942 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.455 ' HE1' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -78.44 -43.1 28.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -41.25 87.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.402 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -89.48 8.64 30.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.321 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -126.98 0.61 7.18 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.667 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.25 106.87 13.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.802 0.334 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -75.9 -39.01 57.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -86.69 -2.67 58.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.7 p30 44.11 36.77 1.58 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.723 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -78.11 -36.47 47.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.921 0.391 . . . . 0.0 110.771 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 133.0 -7.17 5.13 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -141.21 151.73 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.455 HD12 ' HE1' ' A' ' 137' ' ' MET . 23.8 mt -108.37 133.19 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.232 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.5 p30 -104.34 -176.51 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.822 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.582 ' CE1' HD13 ' A' ' 154' ' ' LEU . 33.9 t80 -62.53 -43.08 99.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.019 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -57.45 -53.13 61.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.61 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.413 ' HB2' HG23 ' A' ' 148' ' ' ILE . 29.4 mt-10 -63.64 -50.18 70.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.399 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.675 ' CE2' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -61.16 -25.81 67.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.244 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' A' ' 150' ' ' TYR . 2.4 tp -59.26 -33.99 71.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 0.0 110.782 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.87 -33.85 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.727 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.878 ' O ' HG22 ' A' ' 160' ' ' VAL . 5.1 t80 -54.74 -22.85 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.646 ' HG3' HD21 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -73.61 -71.35 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.056 179.435 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.71 75.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 115.83 84.34 1.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.29 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 156' ' ' PHE . 10.8 t -106.41 44.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 111.129 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.847 0.356 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 82' ' ' VAL . 17.0 t 62.53 34.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -87.9 -66.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.93 -48.52 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.3 mtp -129.75 155.18 46.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -95.27 -72.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -116.27 148.77 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -98.62 117.22 32.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 p -70.79 -177.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -125.5 118.18 25.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.26 -135.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.563 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.8 96.75 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 111.025 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.775 HG23 ' H ' ' A' ' 95' ' ' GLU . 11.0 t -112.98 -159.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.514 ' HG2' HD11 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -70.18 -6.77 36.73 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.521 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.775 ' H ' HG23 ' A' ' 93' ' ' THR . 0.1 OUTLIER -76.96 -26.95 54.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.768 0.318 . . . . 0.0 110.656 179.695 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -74.76 -24.43 58.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 94' ' ' GLU . 15.6 mt -56.3 -21.91 27.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.6 t -68.04 -45.79 72.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 0.0 110.676 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.47 -43.25 93.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.89 -27.59 61.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.959 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.13 -41.19 98.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -59.25 -40.94 87.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.1 mmm -52.3 -29.37 23.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.75 -20.17 53.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.008 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -93.27 145.27 24.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.503 ' HG3' HD12 ' A' ' 119' ' ' ILE . 3.0 mmpt? -99.65 -34.33 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -115.08 16.35 17.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.501 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.69 72.78 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.75 0.31 . . . . 0.0 111.574 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -115.03 -14.2 11.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.414 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.25 -15.71 60.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.616 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 20.6 m-85 -130.41 139.38 50.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.766 0.317 . . . . 0.0 110.651 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.66 133.14 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -107.68 -177.4 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.77 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.07 -30.94 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.33 -60.38 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.96 -48.53 78.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.574 ' O ' HD12 ' A' ' 121' ' ' LEU . 14.0 tp -54.71 -28.26 46.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -76.88 -30.54 56.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.503 HD12 ' HG3' ' A' ' 106' ' ' LYS . 46.3 mt -70.17 -53.1 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.6 ttp -56.41 -36.49 69.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.629 HD13 HG12 ' A' ' 133' ' ' ILE . 3.7 mt -74.62 -36.82 62.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -68.64 -30.02 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.682 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.04 68.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.6 p -64.43 177.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -106.36 4.55 37.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.836 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -93.28 -178.88 4.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.9 p -113.48 114.99 27.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.54 133.52 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 132' ' ' ASP . 3.3 t -83.07 174.61 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -76.68 -34.12 58.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -49.76 72.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.661 ' H ' HG23 ' A' ' 129' ' ' THR . 5.4 t70 -56.21 -39.21 72.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.629 HG12 HD13 ' A' ' 121' ' ' LEU . 24.6 mt -71.72 -45.31 66.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.255 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.58 -50.4 73.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -28.57 70.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -32.16 73.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -36.77 84.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -70.93 -28.07 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -77.97 -4.44 46.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.424 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.443 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.05 -26.45 1.69 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.563 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.86 95.29 9.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -68.7 -26.14 65.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -102.16 3.46 38.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.419 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.6 t30 46.76 37.55 4.85 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.771 0.319 . . . . 0.0 111.449 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.08 -1.39 44.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.365 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.75 -16.11 58.96 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.783 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -133.85 145.73 49.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.72 HG23 ' HB2' ' A' ' 152' ' ' GLU . 19.8 mt -109.27 129.49 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.226 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.439 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 56.0 p-10 -103.83 -178.72 3.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -59.05 -21.1 58.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.317 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.37 -53.15 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.336 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.72 ' HB2' HG23 ' A' ' 148' ' ' ILE . 8.7 mt-10 -67.57 -35.9 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.954 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -24.79 59.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.18 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.514 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -56.35 -36.41 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.982 0.42 . . . . 0.0 110.785 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -23.62 56.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.998 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.443 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -68.59 -7.47 33.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.615 -179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.94 12.58 9.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.684 0.278 . . . . 0.0 110.984 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -80.67 21.93 0.62 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 118.97 -18.63 10.42 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.2 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 156' ' ' PHE . 33.2 m -49.26 -37.55 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.765 0.317 . . . . 0.0 111.391 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.839 0.352 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.1 t 69.86 -63.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.29 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -71.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.058 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.82 -178.51 0.71 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.42 -172.97 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -79.19 -80.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -131.1 111.03 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.951 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -164.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -91.11 21.59 4.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.519 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 89' ' ' SER . 5.2 mmtp -51.89 -167.64 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.057 0.456 . . . . 0.0 111.667 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.1 166.85 42.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.807 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -119.52 126.5 51.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.9 m -110.96 -79.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.086 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.91 -21.7 62.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.27 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.49 10.41 41.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.305 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.12 -28.23 12.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.227 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 97' ' ' LEU . 17.8 mt -69.64 -14.83 63.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.344 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -51.89 19.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -34.55 73.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.78 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.513 HD23 ' SD ' ' A' ' 103' ' ' MET . 0.8 OUTLIER -73.8 -20.48 60.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -74.2 -36.83 64.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.194 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -50.94 71.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.398 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.513 ' SD ' HD23 ' A' ' 100' ' ' LEU . 17.2 ptm -52.27 -42.87 64.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 110.75 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -58.87 -29.61 67.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.679 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -87.17 143.72 27.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.659 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.529 ' HE3' HG21 ' A' ' 119' ' ' ILE . 1.7 tppt? -107.93 -46.21 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.153 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -88.44 8.29 28.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.66 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.45 73.17 0.16 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.777 0.322 . . . . 0.0 111.541 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -124.08 -4.62 7.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.652 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.4 -4.35 73.32 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.609 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -139.59 144.06 37.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.728 0.299 . . . . 0.0 110.524 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.452 HD13 ' HE2' ' A' ' 153' ' ' PHE . 2.5 mt -108.63 133.6 53.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.211 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -107.46 177.55 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.852 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -28.98 70.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.291 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -69.75 -61.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.103 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.28 -43.62 74.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.454 HD23 ' CG2' ' A' ' 133' ' ' ILE . 35.5 tp -57.28 -24.0 52.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.287 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.582 ' HA ' HD12 ' A' ' 121' ' ' LEU . 35.8 tttp -87.07 -27.32 23.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.243 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.529 HG21 ' HE3' ' A' ' 106' ' ' LYS . 35.7 mt -65.46 -55.08 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.93 -28.12 6.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.267 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 133' ' ' ILE . 47.0 mt -66.27 -37.06 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.81 -29.26 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.73 -21.59 60.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.454 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.2 p -75.8 179.03 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -108.2 3.03 33.14 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.83 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.01 -177.62 3.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.354 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 70.7 p -122.68 109.06 13.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.7 mm -108.35 144.1 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.633 HG23 ' H ' ' A' ' 132' ' ' ASP . 14.1 t -90.65 164.02 14.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.76 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -70.02 -34.52 73.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.261 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.31 -48.6 81.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.633 ' H ' HG23 ' A' ' 129' ' ' THR . 15.2 m-20 -57.04 -38.16 72.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.582 ' CD1' HD11 ' A' ' 121' ' ' LEU . 41.8 mm -74.23 -46.53 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.224 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -52.88 -40.49 63.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.45 -27.97 63.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.401 HD22 HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.62 -31.06 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.002 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -44.03 25.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -63.89 -29.56 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.414 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 5.2 t0 -92.36 -1.29 57.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.521 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.29 1.27 9.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.777 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.42 108.21 15.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.96 0.41 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -85.69 -34.85 21.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -83.72 -6.87 59.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.83 24.14 10.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.414 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -65.82 -37.82 87.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.98 0.419 . . . . 0.0 110.677 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.4 4.46 10.93 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.965 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -144.0 157.76 44.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.813 0.34 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 52.5 mt -108.91 126.6 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.8 p30 -103.68 170.63 7.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -65.62 -20.51 66.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.345 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.74 -58.87 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 111.075 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.445 ' HG3' HG23 ' A' ' 148' ' ' ILE . 10.0 pt-20 -69.22 -34.97 75.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.665 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -61.09 -29.3 69.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.745 0.307 . . . . 0.0 110.941 -179.783 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -35.76 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -92.89 -35.51 13.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' A' ' 139' ' ' ASP . 46.0 t80 -68.54 -45.67 71.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -2.14 38.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.93 50.76 0.96 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.195 0.522 . . . . 0.0 109.791 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 115.84 123.91 3.65 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.7 54.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.006 0.431 . . . . 0.0 111.127 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.944 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.401 ' C ' HG22 ' A' ' 82' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.79 0.329 . . . . 0.0 111.153 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.401 HG22 ' C ' ' A' ' 81' ' ' MET . 15.6 m 42.04 63.53 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.838 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -147.67 30.61 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.737 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.57 86.7 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.773 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.0 mtp -112.8 -61.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -165.49 31.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.74 81.63 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -132.29 119.01 20.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -54.27 100.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -119.11 92.93 3.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.67 161.46 22.65 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.311 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 96' ' ' GLU . 5.9 mttp -117.2 31.3 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.116 0.484 . . . . 0.0 111.004 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 94' ' ' GLU . 7.7 t -116.77 -50.97 2.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.452 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.5 ' N ' HG23 ' A' ' 93' ' ' THR . 11.6 mt-10 -85.96 -31.73 21.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.541 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.89 -22.12 21.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.834 0.35 . . . . 0.0 110.783 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 92' ' ' LYS . 5.3 mm-40 -79.02 -26.1 43.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.993 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 94' ' ' GLU . 5.4 mt -54.41 -24.04 18.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -67.44 -41.79 84.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.763 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.64 -40.08 86.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -31.11 60.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 150' ' ' TYR . 14.7 t80 -57.72 -50.6 72.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -56.88 -41.8 78.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.5 mtt -54.85 -27.2 40.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.509 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -84.23 -24.51 30.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.24 149.3 21.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.771 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.669 ' HG3' HD12 ' A' ' 119' ' ' ILE . 4.8 mmtm -116.21 -45.18 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -80.4 0.08 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.772 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.93 71.04 0.31 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.927 0.394 . . . . 0.0 111.628 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -123.16 -30.52 3.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.17 -3.45 10.55 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.537 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.408 ' HB3' ' HB3' ' A' ' 147' ' ' ARG . 38.7 m-85 -137.84 147.51 44.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.699 0.285 . . . . 0.0 110.541 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.509 HD13 ' HB3' ' A' ' 104' ' ' PHE . 18.9 mt -108.66 135.64 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.345 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -108.39 176.89 4.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.775 ' HA ' HD12 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -63.55 -28.47 69.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.183 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.48 -57.42 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.98 -40.2 66.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 114' ' ' LEU . 48.1 mt -54.42 -29.29 48.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -89.66 -5.76 56.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.513 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.669 HD12 ' HG3' ' A' ' 106' ' ' LYS . 26.2 mt -91.0 -67.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.614 0.245 . . . . 0.0 111.427 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.651 ' HE2' ' HB2' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -57.92 -21.44 43.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.032 -179.776 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.752 HD11 ' CG2' ' A' ' 128' ' ' ILE . 5.9 tt -69.39 -30.48 68.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.579 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -69.46 -28.05 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.68 -9.15 58.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.651 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.6 p -65.3 -174.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.003 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -103.53 -17.55 17.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.712 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.618 ' HG3' HD11 ' A' ' 128' ' ' ILE . 4.9 pt-20 -105.82 -176.58 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.99 128.73 55.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.752 ' CG2' HD11 ' A' ' 121' ' ' LEU . 5.1 mp -133.14 131.98 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.035 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.0 t -84.21 169.59 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.782 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -63.57 -23.32 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.104 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.69 -55.76 23.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.89 -33.95 62.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.646 HG23 ' HB3' ' A' ' 117' ' ' LEU . 35.6 mt -64.37 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -46.65 89.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -30.58 68.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -32.91 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.504 ' CE ' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -77.4 -43.08 33.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -62.68 -25.59 68.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -100.2 0.29 40.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.86 -27.97 1.47 Allowed Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.846 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.2 97.66 11.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -31.34 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -83.64 -8.1 59.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 58.85 25.87 14.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.445 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -78.12 -3.15 40.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.381 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.21 -9.09 76.43 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.608 -0.805 . . . . 0.0 113.007 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.408 ' HB3' ' HB3' ' A' ' 111' ' ' TYR . 8.2 mmt85 -133.55 155.7 49.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 56.1 mt -108.53 123.84 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.184 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.405 ' OD2' ' CZ ' ' A' ' 111' ' ' TYR . 7.0 t70 -103.61 168.37 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 31.5 t80 -57.36 -41.8 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.017 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.81 -52.99 63.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.18 -40.84 86.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.263 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -27.01 67.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.504 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 13.1 mt -53.69 -37.14 62.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 158' ' ' LYS . 0.4 OUTLIER -80.09 -28.03 39.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.096 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -58.7 -54.18 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.56 2.48 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.747 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -99.52 38.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.15 0.5 . . . . 0.0 109.949 179.321 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 116.43 122.87 3.44 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -133.34 45.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.98 0.419 . . . . 0.0 111.194 -179.207 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.914 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.5 mtm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t 63.67 91.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 60.24 167.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.5 m -132.03 170.86 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -76.19 -51.62 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -132.37 111.73 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.7 -18.98 24.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.88 131.25 50.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -125.78 120.02 29.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -57.74 165.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -121.66 -81.54 0.61 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.669 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -80.38 85.29 5.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.974 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.735 HG23 ' H ' ' A' ' 95' ' ' GLU . 11.9 t -112.8 -156.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.718 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.498 ' HG2' HD11 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -69.59 -8.3 46.21 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.618 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.735 ' H ' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -78.74 -30.79 46.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 0.0 110.687 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -21.67 55.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.4 mt -56.41 -21.69 26.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.318 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 150' ' ' TYR . 70.9 p -69.84 -39.0 76.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.783 0.325 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.73 -42.44 93.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.0 -22.15 64.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.95 -50.13 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.993 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -33.26 68.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 mtt -57.47 -30.15 64.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -8.7 59.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.9 140.69 33.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.8 0.333 . . . . 0.0 110.806 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.73 -36.75 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.278 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -99.64 8.37 44.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.537 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.4 71.02 0.3 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.784 0.326 . . . . 0.0 111.5 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -120.07 -7.16 9.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.476 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.89 -15.65 62.24 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.515 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -128.89 144.61 51.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.74 0.305 . . . . 0.0 110.754 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mt -108.74 131.62 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -109.12 174.57 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.617 HD13 HD21 ' A' ' 117' ' ' LEU . 4.3 mm? -67.96 -30.84 70.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.081 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.04 -32.22 63.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.092 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.31 -65.19 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.562 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 118' ' ' LYS . 4.1 pp -49.39 -27.04 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.761 ' N ' HD12 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -66.42 -15.16 63.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.195 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.463 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 26.2 mt -90.38 -49.92 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 111.468 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.597 ' O ' HG22 ' A' ' 124' ' ' THR . 0.3 OUTLIER -59.78 -31.96 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.919 -179.212 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 122' ' ' GLN . 4.2 pp -82.74 -41.43 19.25 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.652 ' N ' HD12 ' A' ' 121' ' ' LEU . 20.5 pt20 -64.58 -45.72 85.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 122' ' ' GLN . . . -56.81 -22.36 35.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.214 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 120' ' ' MET . 9.5 t -119.91 107.36 13.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.95 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.13 26.95 11.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.612 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -122.25 -11.0 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 p -111.13 -164.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.725 0.298 . . . . 0.0 111.087 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.586 ' HB ' HD11 ' A' ' 133' ' ' ILE . 3.2 mp -49.69 129.77 7.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.915 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.3 m -79.07 165.79 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -23.74 8.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.685 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -61.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 111.178 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.409 ' CB ' ' CG2' ' A' ' 128' ' ' ILE . 0.7 OUTLIER -59.64 -34.63 73.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.602 -179.513 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.647 ' CG2' HD13 ' A' ' 117' ' ' LEU . 44.8 mm -67.1 -57.29 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.707 0.289 . . . . 0.0 111.395 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -48.25 -29.42 3.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.29 -30.27 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -30.53 70.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.578 ' HG2' HD21 ' A' ' 114' ' ' LEU . 4.6 tpt -57.76 -49.12 77.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.35 -26.28 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -99.21 11.05 40.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.502 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.42 -34.76 0.74 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.38 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.57 99.57 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -80.59 -36.07 33.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -84.53 -6.4 59.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 48.83 27.81 1.71 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 111.63 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -73.81 -36.06 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.495 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.86 -9.59 3.36 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.814 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -141.83 161.87 36.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.755 0.312 . . . . 0.0 110.694 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.603 HG23 ' HG3' ' A' ' 152' ' ' GLU . 24.2 mt -108.14 126.28 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.938 0.399 . . . . 0.0 111.211 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.0 p30 -103.67 179.34 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.459 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 98' ' ' SER . 27.7 t80 -71.38 -19.42 62.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.284 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.35 -60.31 2.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.0 111.018 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.603 ' HG3' HG23 ' A' ' 148' ' ' ILE . 6.0 pt-20 -67.93 -36.96 81.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.814 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -59.81 -25.51 65.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.715 0.293 . . . . 0.0 110.89 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.498 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -57.98 -33.23 68.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.81 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.27 -30.95 33.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.74 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.676 ' O ' HG22 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -51.34 -26.13 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.863 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 159' ' ' GLY . 0.0 OUTLIER -83.68 -73.98 0.39 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.384 179.601 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 66.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.406 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 116.76 86.25 1.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.253 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 156' ' ' PHE . 3.2 t -91.37 -60.14 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 0.0 111.116 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.885 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.482 ' HG3' HG23 ' A' ' 82' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.811 0.339 . . . . 0.0 111.306 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.482 HG23 ' HG3' ' A' ' 81' ' ' MET . 21.5 t -132.4 147.99 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -173.35 140.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 60.5 165.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.58 31.62 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.65 -69.0 0.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.978 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.99 -163.02 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -128.19 134.48 49.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.79 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.95 86.15 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.67 -167.02 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -107.02 -111.38 3.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.789 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -65.13 94.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.495 HG22 ' N ' ' A' ' 94' ' ' GLU . 58.4 m -110.62 -97.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 93' ' ' THR . 9.7 mt-10 -107.12 -69.6 0.83 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -27.86 0.21 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.465 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.86 -26.25 5.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.107 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.56 -15.81 28.12 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.16 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 7.6 t -75.26 -23.72 57.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.76 -44.15 69.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.679 HD13 ' N ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -71.34 -12.81 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.55 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 150' ' ' TYR . 10.2 t80 -69.62 -47.82 62.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.691 0.282 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -31.35 72.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.5 mmt -59.83 -36.66 77.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.76 -16.08 60.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.239 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.78 145.72 24.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.788 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -110.29 -36.32 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.084 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -100.97 4.19 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.435 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.62 59.94 4.02 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.859 0.362 . . . . 0.0 111.228 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -105.82 -8.14 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.428 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.67 -16.29 59.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.783 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -129.71 157.38 42.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 110.77 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.39 138.66 48.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -115.92 -176.07 2.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.35 -24.78 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.44 -37.68 65.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.296 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.744 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -82.19 -46.81 13.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 111.151 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 26.7 tp -50.84 -26.0 5.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.544 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.05 -27.19 30.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.319 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 116' ' ' GLU . 39.7 mt -69.24 -55.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.264 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptm -58.92 -20.3 50.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.377 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.653 HD22 HG13 ' A' ' 128' ' ' ILE . 17.0 mt -83.95 -43.32 15.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.363 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -64.29 -41.99 96.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.011 0.434 . . . . 0.0 110.719 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.24 52.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.394 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.2 p -57.14 -170.33 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -97.84 -15.18 37.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.765 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.64 -179.89 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.95 116.76 25.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.653 HG13 HD22 ' A' ' 121' ' ' LEU . 23.6 mm -104.6 142.75 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.9 p -82.67 -176.2 6.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.475 ' HA ' HD12 ' A' ' 133' ' ' ILE . 47.8 mt-10 -79.7 -43.56 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.11 -43.21 73.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -35.03 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 130' ' ' GLU . 23.8 mt -74.07 -59.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.039 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -57.03 -31.47 65.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.3 -31.79 72.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -46.53 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.847 ' HA ' HD11 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -57.51 -48.36 79.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -54.43 -24.88 21.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -96.28 -12.95 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.48 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.467 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.39 13.8 8.84 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.794 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -114.66 90.61 3.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -82.57 -39.61 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -86.76 -7.51 58.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.631 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.2 m120 44.59 42.33 5.6 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.718 0.294 . . . . 0.0 111.469 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -85.04 3.67 37.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.48 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 99.83 -6.94 58.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.706 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -153.25 166.92 31.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.747 0.308 . . . . 0.0 110.715 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.894 HG21 ' CD1' ' A' ' 153' ' ' PHE . 90.6 mt -108.22 128.44 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 111.293 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 9.4 p30 -104.15 173.38 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.501 ' O ' HD23 ' A' ' 154' ' ' LEU . 25.7 t80 -57.88 -28.24 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.385 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.412 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 0.7 OUTLIER -68.22 -58.54 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.679 -179.374 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.763 ' HG3' HG23 ' A' ' 148' ' ' ILE . 9.6 pt-20 -76.16 -17.35 59.6 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.894 ' CD1' HG21 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -89.57 -37.47 14.67 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.765 -179.312 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 155' ' ' GLU . 3.7 pp -57.3 -44.43 84.08 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.619 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.699 ' N ' HD12 ' A' ' 154' ' ' LEU . 3.8 mt-10 -63.87 -28.43 69.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.487 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.467 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -52.94 -38.29 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.12 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.5 mtm -99.09 -0.2 42.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.57 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 45.36 1.0 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.104 0.478 . . . . 0.0 110.068 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 105.42 119.76 4.63 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -133.25 39.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.874 0.368 . . . . 0.0 110.999 -179.259 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.804 0.335 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.1 p -92.6 -35.42 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.3 174.28 7.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.38 -78.74 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.5 mmt -82.04 123.09 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -164.37 168.48 18.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.13 159.39 14.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -106.56 135.27 48.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 m -96.75 25.91 4.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.248 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -89.98 109.6 20.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.85 -95.13 0.56 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.639 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -65.29 115.91 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.75 0.309 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -114.74 -172.79 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.019 -179.821 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.461 ' H ' HG22 ' A' ' 93' ' ' THR . 2.4 mt-10 -85.0 1.28 48.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 -36.01 9.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.966 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -33.64 70.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.28 -25.3 67.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.05 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -38.67 68.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.92 -42.46 99.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.5 mt -67.38 -22.44 65.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CD1' ' CD2' ' A' ' 153' ' ' PHE . 1.9 t80 -62.59 -45.77 91.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.818 0.342 . . . . 0.0 111.061 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -62.33 -31.73 72.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.1 -35.26 74.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.409 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 5.6 m-85 -76.31 -18.32 59.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -87.64 142.32 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.727 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.92 -40.98 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -104.33 11.42 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.38 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.25 56.23 8.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.908 0.385 . . . . 0.0 111.323 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -96.55 -8.67 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.409 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.13 -11.9 70.97 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.646 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -138.27 151.72 47.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.756 0.313 . . . . 0.0 110.771 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 104' ' ' PHE . 17.4 mt -108.69 132.98 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.139 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -107.93 170.85 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.45 -31.56 72.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.78 -47.48 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -55.44 26.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.9 tp -51.53 -27.89 12.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.21 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.791 ' HG3' HD13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -74.3 -27.58 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.987 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.405 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 37.6 mt -62.91 -52.26 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.0 ttp -58.33 -27.8 64.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.34 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.757 HD22 HG12 ' A' ' 133' ' ' ILE . 1.5 mp -77.52 -45.9 24.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.22 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLN . . . . . 0.405 ' HG2' ' HA ' ' A' ' 119' ' ' ILE . 12.4 pt20 -66.86 -44.03 82.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.07 0.462 . . . . 0.0 110.658 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.32 -28.61 65.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.2 156.95 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.64 8.08 76.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.903 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -75.94 155.92 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.18 92.6 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.542 ' HB ' HD23 ' A' ' 121' ' ' LEU . 26.9 mt -127.4 132.25 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.0 t -84.31 168.99 15.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.754 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLU . . . . . 0.807 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -61.75 -35.31 77.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.67 -44.12 76.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.051 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.423 ' HB2' HG22 ' A' ' 128' ' ' ILE . 9.1 m-20 -60.62 -33.27 72.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 130' ' ' GLU . 19.5 mt -71.82 -48.68 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -60.07 -51.98 67.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -28.8 64.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -35.85 81.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -46.89 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -26.31 62.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -82.34 -15.62 52.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.219 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.439 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.57 12.09 8.92 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.698 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -117.92 91.85 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.8 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -79.32 -33.07 43.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -87.36 -3.1 59.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.399 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 47.3 29.15 1.18 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 111.485 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -72.92 -35.57 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.717 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 125.31 -5.39 8.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.848 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mtt85 -142.8 153.26 43.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 110.765 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.681 HG23 ' HB2' ' A' ' 152' ' ' GLU . 46.1 mt -108.96 129.66 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -103.72 179.3 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.633 ' O ' HD23 ' A' ' 154' ' ' LEU . 15.6 t80 -56.07 -25.33 44.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.215 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -54.24 7.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.681 ' HB2' HG23 ' A' ' 148' ' ' ILE . 0.8 OUTLIER -76.7 -23.44 53.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.371 -179.62 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.507 ' HB2' HG22 ' A' ' 148' ' ' ILE . 1.8 t80 -80.98 -43.47 19.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.243 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.751 HD12 ' N ' ' A' ' 155' ' ' GLU . 3.1 pp -61.37 -42.75 99.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.997 0.427 . . . . 0.0 110.648 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -60.93 -34.35 74.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.584 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -49.86 -25.51 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.684 -179.888 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.62 0.26 15.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.695 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -100.19 37.25 1.69 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 113.52 103.03 2.56 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.4 t -91.74 -71.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.0 mmm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.807 0.337 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 82' ' ' VAL . 15.6 t 62.02 31.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.193 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -131.89 68.04 1.51 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.44 107.58 15.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -168.23 98.16 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.55 -167.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -73.28 83.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.053 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -115.33 167.12 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.684 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 p -125.0 -100.07 0.4 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.609 ' O ' HG22 ' A' ' 93' ' ' THR . 0.0 OUTLIER -126.46 130.48 50.75 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.79 0.328 . . . . 0.0 110.965 -179.769 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -51.83 -32.83 34.28 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.613 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -115.91 59.6 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.05 0.452 . . . . 0.0 110.817 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.698 HG23 ' H ' ' A' ' 95' ' ' GLU . 12.1 t -113.09 -153.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.634 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.687 ' HA ' HD12 ' A' ' 97' ' ' LEU . 6.4 mt-10 -69.37 -6.86 32.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.653 0.263 . . . . 0.0 111.618 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.698 ' H ' HG23 ' A' ' 93' ' ' THR . 1.7 mt-10 -87.23 -38.79 16.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 0.0 110.585 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -64.51 -27.95 69.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.556 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 94' ' ' GLU . 48.2 mt -58.72 -20.79 52.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.568 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 t -52.5 -43.25 64.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.066 0.46 . . . . 0.0 110.898 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -59.31 -38.07 79.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.946 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.628 HD12 HD23 ' A' ' 97' ' ' LEU . 33.2 mt -65.11 -32.25 73.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.76 -52.56 64.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -55.28 -39.71 70.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.4 mtt -55.93 -27.44 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.967 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -81.13 -20.78 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.8 134.64 33.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.834 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -103.35 -43.14 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -95.68 11.57 32.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.467 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.17 71.27 0.31 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.795 0.331 . . . . 0.0 111.401 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -119.87 -4.07 10.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.414 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.18 -10.95 69.01 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.772 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -134.08 151.71 51.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 0.0 110.725 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mt -108.59 118.51 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -107.71 174.64 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.7 -42.21 71.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.38 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -61.27 -53.14 60.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.692 HD22 ' SD ' ' A' ' 137' ' ' MET . 14.1 tp -58.84 -31.03 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -62.63 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 116' ' ' GLU . 10.9 mt -76.66 -41.4 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 ttp -57.03 -45.84 82.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.719 HD12 HG13 ' A' ' 128' ' ' ILE . 4.4 mm? -67.67 -41.94 82.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -65.16 -28.54 69.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.739 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.56 -26.15 68.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.0 p -68.55 -178.64 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -100.05 21.57 44.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.636 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -126.87 174.99 8.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 44.6 p -111.59 123.3 49.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.719 HG13 HD12 ' A' ' 121' ' ' LEU . 19.6 mm -120.74 155.3 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.405 ' N ' HG22 ' A' ' 128' ' ' ILE . 38.6 p -96.01 160.08 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -20.6 59.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.76 -55.45 14.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.27 -43.83 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 29.8 mt -66.44 -28.29 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.42 -31.14 70.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -98.08 24.71 6.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.71 -38.04 8.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.725 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.692 ' SD ' HD22 ' A' ' 117' ' ' LEU . 38.2 mmm -72.43 -23.58 61.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -33.91 73.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.787 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.68 12.31 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.279 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.436 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.36 -35.8 0.68 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.384 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -104.44 118.58 36.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.031 0.443 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -78.75 -21.45 47.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.228 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -89.4 1.97 55.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.292 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.4 t30 49.82 27.96 2.54 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.317 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -71.29 -25.6 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.011 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.38 1.0 47.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.82 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -137.51 149.76 47.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.692 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -109.17 125.51 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.347 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 153' ' ' PHE . 6.2 p30 -103.62 178.83 4.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.693 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.508 ' CE1' HD21 ' A' ' 154' ' ' LEU . 7.6 t80 -61.49 -29.85 70.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.218 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -59.68 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.931 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -63.93 -29.99 71.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.165 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.465 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.57 -42.0 91.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.957 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.508 HD21 ' CE1' ' A' ' 150' ' ' TYR . 1.6 mm? -51.44 -31.93 24.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -87.08 -38.07 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.244 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.436 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -52.02 -25.6 8.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.621 ' SD ' HD22 ' A' ' 97' ' ' LEU . 9.7 mmt -79.51 -73.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.011 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -61.77 71.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.12 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 117.46 87.51 1.25 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.254 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 156' ' ' PHE . 3.4 t -97.23 39.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 111.085 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.815 0.341 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.4 t -111.16 139.12 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.49 -40.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.7 t -76.86 89.96 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.1 ttm -88.24 122.15 31.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -115.58 25.41 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -131.04 21.94 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -66.28 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.767 0.318 . . . . 0.0 111.034 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -40.86 70.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -61.06 84.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.983 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.18 -101.94 1.55 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 97.11 10.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.07 -148.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.715 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -5.24 12.03 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -95.43 0.01 52.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.584 0.231 . . . . 0.0 111.321 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.28 -28.24 14.15 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 110.794 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.517 HD21 ' HG2' ' A' ' 157' ' ' MET . 4.0 mt -56.84 -22.25 35.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.1 p -69.91 -31.52 69.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -58.64 -48.37 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.724 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.79 -25.01 59.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 150' ' ' TYR . 58.5 t80 -61.52 -54.17 46.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -53.65 -39.95 65.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.3 mmt -54.3 -25.87 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -85.13 -9.62 57.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.38 136.73 35.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.74 0.305 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HB2' HD11 ' A' ' 119' ' ' ILE . 18.8 tptt -107.14 -41.76 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.056 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -101.16 5.63 42.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.556 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.32 80.51 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.673 0.273 . . . . 0.0 111.63 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -127.57 -1.78 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.623 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.59 -14.78 61.72 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.443 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CZ ' ' OD1' ' A' ' 149' ' ' ASP . 37.6 m-85 -133.49 154.03 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.746 0.307 . . . . 0.0 110.344 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.439 HD13 ' HE2' ' A' ' 153' ' ' PHE . 5.4 mt -108.69 140.81 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.167 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -117.9 176.77 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.655 HD23 HD11 ' A' ' 117' ' ' LEU . 38.8 mt -60.69 -36.4 78.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.58 -35.51 80.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -60.44 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -60.87 -16.87 46.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.251 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.507 ' HD3' HD13 ' A' ' 133' ' ' ILE . 8.4 mmtm -76.78 -52.3 9.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.675 0.274 . . . . 0.0 111.359 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.419 HD11 ' HB2' ' A' ' 106' ' ' LYS . 17.9 pt -56.21 -42.58 73.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.511 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.478 ' HE3' ' HG ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -69.33 -29.53 67.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.128 -179.67 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.79 HD13 HG12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -74.37 -45.65 45.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.962 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -27.26 69.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.42 -5.82 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.701 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 121' ' ' LEU . 42.9 p -66.64 -173.5 0.23 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -99.76 -10.75 45.8 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.859 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -113.28 -178.38 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 128' ' ' ILE . 22.0 p -111.34 126.35 54.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.422 HD13 ' O ' ' A' ' 127' ' ' THR . 30.9 mm -121.15 143.74 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 132' ' ' ASP . 2.5 t -80.34 164.24 23.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -31.6 69.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -48.89 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.11 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.594 ' H ' HG23 ' A' ' 129' ' ' THR . 20.1 m-20 -59.25 -40.86 87.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.041 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.79 HG12 HD13 ' A' ' 121' ' ' LEU . 34.1 mt -69.26 -26.26 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.29 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -81.43 -28.72 34.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.057 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.06 -25.08 65.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.44 -47.69 81.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.091 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.473 ' SD ' HD21 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -61.94 -38.1 87.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.021 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -57.57 -41.62 81.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.411 ' O ' ' CZ ' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -99.46 23.52 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.197 -179.783 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.429 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -132.61 -37.65 0.26 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.274 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.94 112.34 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -36.71 15.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.99 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -82.79 -9.49 59.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.1 t30 57.29 24.44 9.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.404 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -74.8 -16.22 60.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.712 0.292 . . . . 0.0 111.277 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 110.73 -3.08 28.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.012 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -143.75 155.82 44.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.637 HG23 ' HG3' ' A' ' 152' ' ' GLU . 22.7 mt -108.72 133.45 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.3 t70 -103.82 178.7 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.584 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.453 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 31.4 t80 -73.17 -19.98 60.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.384 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -56.74 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.722 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.637 ' HG3' HG23 ' A' ' 148' ' ' ILE . 11.4 pt-20 -71.75 -40.63 69.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.946 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.555 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -59.23 -23.31 62.21 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.062 -179.576 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 150' ' ' TYR . 0.2 OUTLIER -59.77 -30.35 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.719 179.784 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -34.56 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.82 ' O ' HG22 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -51.63 -26.43 8.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.845 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 157' ' ' MET . . . . . 0.517 ' HG2' HD21 ' A' ' 97' ' ' LEU . 3.3 tpp -83.83 -72.74 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.558 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.98 67.27 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.487 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 116.93 89.7 1.46 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.533 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 156' ' ' PHE . 3.1 t -101.67 46.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.94 0.4 . . . . 0.0 110.976 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.909 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.924 0.392 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.53 125.03 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -124.8 99.75 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.69 -60.7 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.8 tpp -149.6 56.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp 60.43 -176.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.16 -166.46 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -83.47 111.86 19.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.4 p -55.85 151.51 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -66.47 -176.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.2 -167.28 14.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.322 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -118.8 30.49 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.128 0.49 . . . . 0.0 111.139 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.78 -63.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.61 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -26.62 31.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.966 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -99.52 5.67 46.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.588 0.232 . . . . 0.0 111.39 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.462 ' HG2' ' HA ' ' A' ' 92' ' ' LYS . 16.7 mm-40 -102.05 -29.53 11.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LEU . . . . . 0.494 ' CD1' HD13 ' A' ' 154' ' ' LEU . 22.3 mt -59.68 -20.39 55.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.003 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -50.95 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 110.604 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -37.99 74.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.518 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.16 -30.61 49.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -58.85 -39.86 82.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -62.13 -42.53 99.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.745 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtt -55.12 -30.51 59.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PHE . . . . . 0.46 ' HB3' HD13 ' A' ' 112' ' ' ILE . 3.3 m-85 -77.82 -27.49 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.679 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -87.24 148.52 25.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LYS . . . . . 0.84 ' HD3' HG21 ' A' ' 119' ' ' ILE . 5.3 mmmt -116.17 -45.15 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.027 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -76.67 -2.09 31.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.789 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.65 63.28 2.23 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.913 0.387 . . . . 0.0 111.402 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -122.02 -27.77 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.8 0.28 17.57 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.677 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -137.76 148.99 46.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.368 . . . . 0.0 110.645 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 104' ' ' PHE . 17.4 mt -110.14 129.89 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.295 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.31 179.67 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.549 HD21 ' HA ' ' A' ' 134' ' ' GLU . 0.1 OUTLIER -63.38 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.165 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -76.64 -26.96 55.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.66 -57.45 3.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.932 0.396 . . . . 0.0 111.091 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.594 ' O ' HD13 ' A' ' 121' ' ' LEU . 36.7 tp -49.8 -27.37 4.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.394 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -76.51 -21.62 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.259 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ILE . . . . . 0.84 HG21 ' HD3' ' A' ' 106' ' ' LYS . 29.2 mm -66.07 -58.63 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.967 0.413 . . . . 0.0 111.176 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.48 ' CE ' HD12 ' A' ' 121' ' ' LEU . 4.8 ttp -54.31 -24.06 17.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.45 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 117' ' ' LEU . 8.9 mp -79.89 -45.2 19.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -69.14 -43.69 73.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.977 0.418 . . . . 0.0 110.589 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.01 69.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.043 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.54 166.76 22.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.99 10.77 69.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.848 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' A' ' 128' ' ' ILE . 1.7 mm-40 -89.39 164.44 14.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -119.35 100.78 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.527 ' HB ' HD23 ' A' ' 121' ' ' LEU . 3.9 mp -121.87 143.16 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 132' ' ' ASP . 2.8 t -83.09 170.65 14.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.78 -30.89 67.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.774 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.8 -48.47 81.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.443 ' H ' HG23 ' A' ' 129' ' ' THR . 0.9 OUTLIER -57.25 -35.68 70.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.515 HG12 HD22 ' A' ' 121' ' ' LEU . 42.3 mt -66.58 -42.5 90.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLU . . . . . 0.549 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -63.18 -50.9 68.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.0 -29.79 71.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -30.37 68.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.007 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' MET . . . . . 0.537 ' SD ' HD22 ' A' ' 117' ' ' LEU . 37.3 mmm -82.49 -33.49 28.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.66 -24.75 67.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -96.88 1.76 50.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.597 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.431 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.11 -29.85 1.17 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.553 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.31 97.38 6.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.703 0.287 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -80.96 -34.02 33.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.97 -4.88 59.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.181 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.7 m120 52.27 27.32 4.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.458 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.87 -34.86 62.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.042 0.449 . . . . 0.0 110.538 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 127.94 -0.61 6.68 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.825 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -143.88 162.29 36.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.496 HG21 ' CD2' ' A' ' 153' ' ' PHE . 50.2 mt -108.19 125.91 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.226 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.2 p30 -103.69 164.62 11.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.973 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.456 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 27.5 t80 -59.52 -20.97 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.295 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.81 -59.26 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.038 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.02 -30.67 65.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.58 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.496 ' CD2' HG21 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -68.28 -35.34 77.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.984 0.421 . . . . 0.0 110.575 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -49.27 -38.91 28.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -75.92 -28.1 57.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -58.54 -26.79 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.91 -1.35 14.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.644 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.93 37.62 1.6 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.242 0.544 . . . . 0.0 109.749 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 115.62 116.08 3.01 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -178.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.38 52.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.959 0.409 . . . . 0.0 111.121 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.95 150.08 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.2 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 44.35 38.5 2.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.418 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.71 30.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.14 -63.12 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.58 85.83 6.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.63 148.25 25.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.66 104.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.1 p -77.66 -162.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.2 138.96 3.64 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.97 0.414 . . . . 0.0 111.295 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.04 -150.21 8.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.681 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.15 64.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.789 HG23 ' H ' ' A' ' 95' ' ' GLU . 12.3 t -112.74 -159.55 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.828 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.688 ' HG2' HD11 ' A' ' 154' ' ' LEU . 21.5 mt-10 -68.22 -9.38 46.7 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.588 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLU . . . . . 0.789 ' H ' HG23 ' A' ' 93' ' ' THR . 33.3 mt-10 -75.51 -31.94 60.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.702 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -24.84 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.94 -16.71 60.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.234 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 15.2 t -60.76 -42.9 98.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -59.51 -41.33 89.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 100' ' ' LEU . 1.6 mm? -61.81 -25.59 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.023 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' A' ' 150' ' ' TYR . 11.3 t80 -60.78 -44.2 97.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -57.68 -39.49 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.8 mtm -56.78 -29.81 63.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -23.11 41.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.2 146.23 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -40.9 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.044 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -91.68 4.1 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.604 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.66 67.97 0.69 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.853 0.359 . . . . 0.0 111.38 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -119.98 -6.8 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.488 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.73 -13.8 66.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.543 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 26.2 m-85 -133.85 144.28 48.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.686 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.82 135.76 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -112.02 -178.86 3.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.7 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.461 HD13 HG22 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -62.08 -29.99 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.22 -51.76 58.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.33 -48.14 77.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.02 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.505 ' O ' HD12 ' A' ' 121' ' ' LEU . 41.2 mt -53.5 -29.85 38.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -77.84 -22.64 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.4 mt -85.88 -57.9 3.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.8 ttp -52.76 -28.32 21.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 117' ' ' LEU . 60.0 mt -83.28 -27.95 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -27.53 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.73 -7.92 59.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.644 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 121' ' ' LEU . 30.0 p -74.73 -172.06 1.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.822 0.344 . . . . 0.0 110.978 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.34 -5.91 22.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.925 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -100.4 178.39 4.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.1 p -109.62 127.5 54.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.8 mp -133.04 128.73 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.042 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' THR . . . . . 0.542 HG23 ' H ' ' A' ' 132' ' ' ASP . 8.9 t -79.37 176.81 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.981 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.51 -31.55 67.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.65 -49.67 70.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ASP . . . . . 0.542 ' H ' HG23 ' A' ' 129' ' ' THR . 0.1 OUTLIER -53.6 -34.74 59.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.461 HG22 HD13 ' A' ' 114' ' ' LEU . 37.1 mt -72.61 -40.14 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.29 -45.39 88.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.73 -29.83 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -45.65 92.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -34.46 72.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -27.71 65.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -73.97 -10.02 59.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.382 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLY . . . . . 0.462 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.84 -23.18 2.31 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.832 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.25 88.14 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.966 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -75.2 -31.84 61.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.719 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -89.68 -5.93 56.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.0 m120 52.2 37.11 21.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.638 0.256 . . . . 0.0 111.555 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -84.87 3.45 37.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.387 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.57 -12.12 69.43 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.71 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -140.9 157.2 45.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.469 HG23 ' HG3' ' A' ' 152' ' ' GLU . 59.4 mt -109.11 125.84 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.299 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.2 p30 -103.39 170.89 7.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.692 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' TYR . . . . . 0.719 ' CE1' HD23 ' A' ' 154' ' ' LEU . 17.4 t80 -60.47 -21.3 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.356 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.49 -58.48 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.083 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' GLU . . . . . 0.469 ' HG3' HG23 ' A' ' 148' ' ' ILE . 11.4 pt-20 -74.44 -30.41 61.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.859 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 153' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.2 OUTLIER -65.98 -33.2 75.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.583 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 154' ' ' LEU . . . . . 0.719 HD23 ' CE1' ' A' ' 150' ' ' TYR . 0.2 OUTLIER -50.24 -30.29 11.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.4 -25.46 42.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' PHE . . . . . 0.462 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.65 -18.95 34.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.175 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.24 20.63 16.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.831 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.73 15.19 1.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 119.74 -7.1 12.24 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.652 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 160' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 161' ' ' GLU . 35.7 m -46.51 -42.55 5.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.114 0.457 . . . . 0.0 111.433 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.45 ' N ' HG23 ' A' ' 160' ' ' VAL . 2.0 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.843 0.354 . . . . 0.0 110.965 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -44.51 -29.49 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.432 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -56.15 -30.42 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.36 -14.5 62.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.1 p -59.92 -34.21 72.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.813 0.34 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -69.52 -30.29 68.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -80.55 -30.82 37.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 150' ' ' TYR . 15.7 t80 -65.72 -43.24 89.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.06 -34.0 75.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.805 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.5 mmm -58.52 -36.51 73.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.572 ' HB3' HD13 ' A' ' 112' ' ' ILE . 5.4 m-85 -71.01 -23.13 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.054 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.38 145.82 24.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.721 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.66 -38.02 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -97.2 3.33 51.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.416 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.92 67.64 0.87 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.818 0.342 . . . . 0.0 111.496 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -116.47 -8.11 11.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.343 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.99 -16.99 59.16 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.614 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.78 140.13 52.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.659 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.572 HD13 ' HB3' ' A' ' 104' ' ' PHE . 18.3 mt -108.56 135.17 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.18 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -108.09 -179.71 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.57 HD21 ' HG2' ' A' ' 134' ' ' GLU . 2.4 mp -65.71 -32.72 74.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -73.33 -40.05 64.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.752 ' HA ' HD12 ' A' ' 119' ' ' ILE . 4.7 mt-10 -68.38 -60.48 2.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.93 -27.62 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.49 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -67.21 -38.99 86.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.044 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 116' ' ' GLU . 6.8 mt -61.28 -45.87 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -63.14 -29.3 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.27 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.622 HD13 HG12 ' A' ' 133' ' ' ILE . 18.9 mt -77.89 -49.02 15.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.253 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -58.61 -42.43 88.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.085 0.469 . . . . 0.0 110.615 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.74 30.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.711 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 121' ' ' LEU . 20.9 p -59.63 172.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.46 -11.42 82.02 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.864 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.42 -178.29 3.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.05 123.92 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.9 mm -114.26 139.89 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.25 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 130' ' ' GLU . 2.1 m -86.58 170.06 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.792 ' HA ' HD12 ' A' ' 133' ' ' ILE . 8.8 mt-10 -64.81 -38.39 90.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.52 -45.36 91.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.91 -40.39 95.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 130' ' ' GLU . 13.1 mt -64.28 -40.46 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.57 ' HG2' HD21 ' A' ' 114' ' ' LEU . 2.2 tm-20 -69.84 -33.0 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.57 -29.92 68.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.04 -36.25 69.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.3 mmt -63.53 -56.06 19.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -63.15 -23.99 67.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 3.6 m-20 -80.86 -15.25 56.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.451 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.452 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -122.53 -4.88 8.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.861 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -101.86 93.23 5.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -30.37 27.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -86.68 -3.65 59.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.285 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 45.96 42.01 8.77 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.777 0.322 . . . . 0.0 111.596 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -86.26 -34.37 20.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.982 0.42 . . . . 0.0 110.566 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 130.06 -4.89 6.05 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.743 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -149.68 160.8 43.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.473 HG23 ' HG3' ' A' ' 152' ' ' GLU . 28.2 mt -108.62 128.75 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.184 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.5 p30 -102.86 167.55 9.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . 88.8 t80 -56.45 -28.25 59.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.76 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.25 -60.23 2.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.754 0.311 . . . . 0.0 111.233 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.473 ' HG3' HG23 ' A' ' 148' ' ' ILE . 14.5 pt-20 -71.33 -27.47 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.855 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.3 OUTLIER -72.55 -35.48 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.719 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 154' ' ' LEU . 1.6 tp -52.24 -41.19 62.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.799 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.42 -27.41 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.734 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.452 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.07 -50.07 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.7 mmt -80.95 0.25 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.59 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 25.7 mttt . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.079 0.466 . . . . 0.0 110.024 179.335 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.232 0.539 . . . . 0.0 110.758 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -56.54 -23.73 42.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.8 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -73.22 -25.81 60.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.995 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.9 mt -53.28 -24.16 10.83 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.384 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.5 t -68.63 -32.75 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.724 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -44.32 67.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -27.95 61.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -56.62 -42.12 78.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.8 mmt-85 -60.15 -36.04 76.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 41.6 mmm -54.93 -35.23 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -73.92 -20.91 60.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.41 136.98 32.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HD3' HG21 ' A' ' 119' ' ' ILE . 31.4 tptt -107.69 -50.14 3.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -89.54 6.42 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.518 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.96 70.15 0.43 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.822 0.344 . . . . 0.0 111.386 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -116.98 -3.18 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.509 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.4 -5.9 67.95 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.637 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 29.2 m-85 -143.95 163.28 33.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.755 0.312 . . . . 0.0 110.786 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.795 HD13 ' CE2' ' A' ' 153' ' ' PHE . 1.9 mp -117.72 125.44 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.075 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -107.18 178.23 4.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.47 HD23 ' SD ' ' A' ' 137' ' ' MET . 20.5 mt -63.46 -34.87 78.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.971 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -73.09 -23.1 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.235 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.39 -55.42 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' A' ' 136' ' ' LEU . 52.8 tp -50.51 -29.75 11.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.392 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.568 ' HA ' HG21 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -73.62 -20.21 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.139 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.527 HG21 ' HD3' ' A' ' 106' ' ' LYS . 22.6 mm -74.64 -54.77 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.811 0.339 . . . . 0.0 111.066 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -53.74 -26.0 21.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.326 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.539 HD13 HG12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -85.07 -33.43 22.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.953 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -69.12 -30.05 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -24.65 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.281 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.5 p -58.33 174.32 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.62 9.76 75.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.841 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.429 ' OE1' HD11 ' A' ' 128' ' ' ILE . 8.4 pt-20 -114.99 -177.24 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.321 . . . . 0.0 110.771 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 82.6 p -121.29 115.06 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.782 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 129' ' ' THR . 24.7 mm -113.14 158.29 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.619 HG23 ' H ' ' A' ' 132' ' ' ASP . 4.3 t -94.95 163.78 13.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.16 -24.77 62.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -55.49 11.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.929 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.619 ' H ' HG23 ' A' ' 129' ' ' THR . 1.1 t70 -54.29 -37.07 64.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.074 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.568 HG21 ' HA ' ' A' ' 118' ' ' LYS . 19.2 mt -72.73 -28.35 27.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -70.93 -45.03 64.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -60.63 -30.89 70.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.629 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -60.01 -31.11 69.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.47 ' SD ' HD23 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -70.31 -37.76 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -71.35 -28.87 64.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.02 -3.32 44.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.488 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.96 -27.18 1.58 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.661 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.33 93.48 9.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -62.25 -23.81 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.045 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.24 10.36 18.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.219 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 48.88 38.39 12.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.708 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.34 -6.37 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.63 0.252 . . . . 0.0 111.46 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.81 -16.02 55.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.725 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -131.68 144.15 50.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 152' ' ' GLU . 46.9 mt -110.0 131.88 59.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.601 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.423 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.2 p30 -103.79 178.07 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.562 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -62.66 -21.13 65.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.186 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.25 -53.12 8.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.293 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.531 ' HB2' HG23 ' A' ' 148' ' ' ILE . 21.6 mt-10 -65.93 -40.56 91.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.795 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -67.92 -24.96 65.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.104 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -39.9 70.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.808 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.41 -27.27 34.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.82 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.418 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.46 -45.59 88.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.07 4.72 36.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.481 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.0 tttt . . . . . 0 C--N 1.331 -0.219 0 CA-C-O 121.223 0.535 . . . . 0.0 109.918 179.346 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.731 0.3 . . . . 0.0 111.476 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.82 -29.87 35.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.813 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.07 -20.72 62.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.424 HD21 ' HG3' ' A' ' 157' ' ' MET . 0.3 OUTLIER -54.9 -23.07 17.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.282 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.3 p -65.79 -46.94 76.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.88 0.371 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.16 -41.52 88.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.58 -30.02 62.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.19 -46.46 88.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -58.87 -35.72 73.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.1 mmt -58.18 -29.85 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 120' ' ' MET . 4.6 m-85 -79.73 -23.75 42.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -90.09 141.05 29.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.767 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -114.25 -44.6 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -85.19 1.09 49.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.451 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.16 71.19 0.34 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.812 0.339 . . . . 0.0 111.464 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -123.05 -1.17 8.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.497 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.76 -11.91 71.04 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.693 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -136.01 145.74 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 0.0 110.708 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.554 HD13 ' HE2' ' A' ' 153' ' ' PHE . 3.2 mt -108.51 128.07 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.167 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -107.45 -175.95 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 tp -66.75 -31.88 72.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.16 -56.56 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.028 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.32 -49.53 76.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.448 HD21 HD22 ' A' ' 136' ' ' LEU . 26.7 tp -57.33 -37.42 72.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.439 ' HA ' HD21 ' A' ' 121' ' ' LEU . 13.7 tttt -54.18 -22.72 12.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.511 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.435 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 23.9 mt -82.41 -32.14 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.017 0.437 . . . . 0.0 111.345 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.495 ' O ' HG23 ' A' ' 124' ' ' THR . 6.4 tmm? -53.19 -40.82 64.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.153 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.74 ' HB2' HD13 ' A' ' 128' ' ' ILE . 0.0 OUTLIER -95.53 -18.79 20.33 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 119' ' ' ILE . 4.0 pt20 -79.46 -45.85 18.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.78 0.324 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 122' ' ' GLN . . . -59.37 -30.84 68.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.302 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 120' ' ' MET . 71.5 p -68.08 170.59 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.39 7.68 79.9 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.896 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.75 ' OE1' HD11 ' A' ' 128' ' ' ILE . 4.7 pt-20 -94.8 173.09 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.2 p -119.24 108.46 14.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.75 HD11 ' OE1' ' A' ' 126' ' ' GLU . 3.2 mp -119.57 142.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -97.62 -175.46 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.454 ' H ' HG22 ' A' ' 129' ' ' THR . 0.3 OUTLIER -85.56 8.92 17.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.475 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.65 -53.75 4.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.844 0.354 . . . . 0.0 110.62 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -30.64 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.041 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.7 mt -72.18 -54.06 17.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -55.07 -28.91 55.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.216 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.06 15.49 15.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.448 HD22 HD21 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -101.81 -31.91 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.491 ' HA ' HD11 ' A' ' 148' ' ' ILE . 2.7 mtp -83.79 -39.55 19.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.838 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -58.3 -30.14 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -81.84 -5.71 58.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.327 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.06 -3.23 8.99 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.783 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.49 93.37 6.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.819 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -77.11 -37.39 54.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -86.88 -2.79 58.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.299 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 51.59 28.42 4.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.475 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -70.05 -36.47 75.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.796 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 124.69 3.31 7.8 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.88 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -150.55 161.07 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.778 0.323 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 137' ' ' MET . 55.6 mt -108.79 127.45 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -103.64 173.96 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.852 ' CZ ' HD11 ' A' ' 154' ' ' LEU . 73.7 t80 -57.58 -28.06 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.182 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -55.0 7.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.455 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -64.61 -38.32 90.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.218 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.554 ' HE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -70.9 -29.15 65.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.852 HD11 ' CZ ' ' A' ' 150' ' ' TYR . 1.2 mp -59.68 -43.61 93.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.47 -31.96 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.724 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -56.87 -29.95 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.057 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.424 ' HG3' HD21 ' A' ' 97' ' ' LEU . 15.8 mmt -105.19 1.52 28.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.5 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.267 0 CA-C-O 121.025 0.44 . . . . 0.0 110.132 179.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 . . . . . 0 N--CA 1.461 0.125 0 CA-C-O 120.692 0.282 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -95.84 -8.37 34.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.001 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -89.85 -27.52 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.88 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.613 HD21 ' HG2' ' A' ' 157' ' ' MET . 36.8 mt -58.1 -20.84 43.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -65.24 -46.45 80.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.81 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.92 -39.26 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.619 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.96 -28.88 64.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.748 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -62.18 -48.62 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -59.35 -40.18 85.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.794 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -30.22 59.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.64 -19.62 55.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.39 142.09 28.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.652 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -40.07 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.079 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -103.71 11.89 35.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.491 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.8 75.36 0.11 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.558 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -120.5 -6.13 9.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.655 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.62 -10.86 68.75 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.615 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 18.6 m-85 -137.75 153.08 49.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.721 0.296 . . . . 0.0 110.618 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.9 mt -108.46 131.09 59.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 111.042 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -110.56 173.73 6.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.853 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' ' 114' ' ' LEU . 4.1 mp -62.06 -35.93 80.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -29.87 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.173 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' A' ' 119' ' ' ILE . 1.6 mp0 -85.54 -47.18 10.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 136' ' ' LEU . 14.9 tp -55.73 -41.18 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.553 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.2 pttp -59.77 -33.54 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 116' ' ' GLU . 22.9 mt -72.32 -46.99 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 9.2 tmm? -53.43 -30.95 43.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 118' ' ' LYS . 5.5 mt -76.36 -33.05 58.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -68.99 -25.04 64.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.26 -30.96 71.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.6 p -69.25 168.68 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -89.81 11.88 69.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.748 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -110.54 177.47 4.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.4 p -112.42 124.81 53.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.4 mm -120.0 140.6 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.7 t -97.6 -179.1 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.878 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -66.49 -27.69 67.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.999 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.82 -53.9 51.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.08 -37.96 78.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' A' ' 130' ' ' GLU . 17.6 mt -64.69 -48.04 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.84 -31.13 67.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.89 -44.57 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.672 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -60.1 -30.41 69.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.524 ' HE2' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -75.76 -46.03 33.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -27.54 68.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -77.77 -9.67 59.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.456 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.437 ' HA3' ' CD2' ' A' ' 156' ' ' PHE . . . -123.1 -24.62 1.99 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.744 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.0 92.08 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.351 . . . . 0.0 111.158 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.57 -37.26 43.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.712 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -89.36 -5.06 57.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.291 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.69 31.6 6.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.756 0.313 . . . . 0.0 111.402 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -83.36 1.36 41.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.429 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.29 -12.9 67.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.918 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -140.56 151.23 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.524 HD12 ' HE2' ' A' ' 137' ' ' MET . 19.0 mt -108.89 132.48 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.241 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.8 p30 -103.46 178.93 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.71 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -69.59 -19.72 63.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.703 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.37 -56.86 4.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.763 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.441 ' HG3' HG23 ' A' ' 148' ' ' ILE . 6.9 pt-20 -70.76 -37.16 73.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.634 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.3 OUTLIER -64.83 -29.2 70.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.806 0.336 . . . . 0.0 110.907 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.607 ' O ' HD13 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -51.66 -32.55 29.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.615 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -83.64 -27.51 29.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.437 ' CD2' ' HA3' ' A' ' 140' ' ' GLY . 1.6 t80 -51.31 -31.25 20.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.613 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -78.54 -72.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.18 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.1 pttp . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.127 -179.661 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.721 0.296 . . . . 0.0 111.404 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -29.84 13.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.04 -32.94 68.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.924 0.392 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.507 HD13 ' HG ' ' A' ' 154' ' ' LEU . 2.4 mt -64.78 -27.28 68.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.084 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -51.02 62.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.05 -28.43 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.76 -30.38 21.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -63.84 -43.08 97.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -56.66 -36.69 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.4 mtt -56.25 -28.0 57.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -88.14 -10.76 48.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.381 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 136.05 44.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.749 0.309 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -115.87 -40.05 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -80.89 0.34 35.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.699 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.15 59.01 4.85 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.934 0.397 . . . . 0.0 111.289 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -120.63 -7.12 9.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.601 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.71 -14.13 64.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.689 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -125.28 148.82 48.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.728 0.299 . . . . 0.0 110.721 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.736 HD13 ' CE2' ' A' ' 153' ' ' PHE . 2.4 mp -115.65 127.39 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.237 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.9 178.65 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.962 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.51 -39.92 89.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -38.02 72.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.03 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.669 ' OE1' HG23 ' A' ' 112' ' ' ILE . 12.4 tt0 -69.34 -62.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.502 HD13 HG21 ' A' ' 112' ' ' ILE . 15.0 tp -49.13 -27.97 3.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.18 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.56 ' HA ' HD21 ' A' ' 121' ' ' LEU . 24.7 mttm -59.55 -29.1 67.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.3 mt -81.66 -41.22 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.419 ' HE2' ' N ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -53.99 -44.15 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.592 HD22 HG12 ' A' ' 133' ' ' ILE . 2.9 pp -72.32 -34.93 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -28.08 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.52 -28.46 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.293 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.4 p -72.82 -178.14 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -110.3 13.71 30.84 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.628 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -103.76 177.85 4.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.4 p -110.01 123.38 49.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.1 mm -122.35 134.35 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 132' ' ' ASP . 8.2 t -86.02 172.19 10.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.489 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.7 pt-20 -72.84 -36.22 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.57 -47.41 86.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.688 ' H ' HG23 ' A' ' 129' ' ' THR . 0.8 OUTLIER -58.61 -38.58 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.592 HG12 HD22 ' A' ' 121' ' ' LEU . 19.9 mt -70.48 -47.07 67.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -58.95 -48.0 83.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.034 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.35 -31.44 71.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -31.83 72.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -44.33 65.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.16 -29.07 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.976 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -82.18 -6.76 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.371 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.458 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.07 -2.38 9.25 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.728 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.34 102.72 12.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.762 0.315 . . . . 0.0 110.801 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -84.03 -36.77 22.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -83.82 -7.7 59.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.235 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 52.35 26.73 4.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.524 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -69.93 -36.12 75.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.702 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 131.66 -0.54 5.04 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.851 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.37 161.26 42.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.826 0.313 . . . . 0.0 110.798 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.445 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 28.6 mt -108.7 127.81 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.27 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 4.3 p30 -103.68 179.64 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.685 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.785 ' O ' HD13 ' A' ' 154' ' ' LEU . 13.5 t80 -60.93 -29.06 69.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.279 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.84 -54.83 10.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.043 0.449 . . . . 0.0 110.402 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.408 ' HB2' HG23 ' A' ' 148' ' ' ILE . 22.8 mt-10 -65.02 -41.62 95.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.405 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.736 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -69.05 -26.25 64.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.721 0.296 . . . . 0.0 111.028 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.785 HD13 ' O ' ' A' ' 150' ' ' TYR . 0.8 OUTLIER -59.41 -37.02 76.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.542 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.27 -29.85 48.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.723 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.458 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.24 -18.06 23.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.288 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.38 17.85 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.702 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? . . . . . 0 CA--C 1.531 0.234 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.158 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.723 ' HG2' HD11 ' A' ' 154' ' ' LEU . 0.6 OUTLIER . . . . . 0 CA--C 1.53 0.197 0 CA-C-O 120.658 0.266 . . . . 0.0 111.577 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.54 -28.99 16.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -26.86 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.016 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 100' ' ' LEU . 2.0 mt -55.43 -23.15 23.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m -61.17 -37.05 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.789 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -36.73 85.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 97' ' ' LEU . 6.7 mt -77.16 -31.4 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.441 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 35.3 t80 -59.96 -43.3 95.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -55.63 -38.84 70.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mmt -55.63 -25.02 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -83.91 -22.07 31.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.042 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.17 138.32 36.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.704 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -107.96 -36.41 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -101.04 6.11 43.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.545 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.34 75.3 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.746 0.308 . . . . 0.0 111.36 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -121.57 -3.73 9.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.534 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.68 -17.04 59.4 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 27.8 m-85 -134.12 142.88 47.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.808 0.337 . . . . 0.0 110.69 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.712 HD13 ' CE2' ' A' ' 153' ' ' PHE . 3.7 mp -108.62 135.44 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -107.73 -179.69 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.15 -29.32 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.085 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.06 -55.04 11.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.078 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.757 ' HA ' HD12 ' A' ' 119' ' ' ILE . 3.4 mt-10 -58.73 -50.7 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.653 HD22 ' SD ' ' A' ' 137' ' ' MET . 38.4 tp -50.24 -27.75 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.192 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -64.93 -31.86 73.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 116' ' ' GLU . 4.3 mt -75.68 -44.29 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.032 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.51 -35.93 54.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.656 HD12 ' CD1' ' A' ' 128' ' ' ILE . 3.9 mm? -81.89 -31.32 31.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -27.87 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.72 -32.71 71.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.4 p -75.5 171.61 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -93.58 19.85 50.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.703 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -104.06 171.07 7.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.25 113.18 19.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.656 ' CD1' HD12 ' A' ' 121' ' ' LEU . 4.3 mt -126.03 141.15 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.5 t -85.51 167.32 15.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.455 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.4 tm-20 -67.14 -23.4 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.54 -57.7 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.49 -36.76 69.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 130' ' ' GLU . 20.7 mt -71.18 -30.65 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.9 -50.6 33.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.84 -31.02 69.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.653 ' SD ' HD22 ' A' ' 117' ' ' LEU . 86.9 mmm -80.66 -40.56 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -25.45 63.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -89.79 10.06 24.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.428 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.44 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.56 -34.19 0.77 Allowed Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.309 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.08 96.97 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -72.7 -29.22 63.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -96.62 2.8 52.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.386 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 54.97 24.31 5.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.725 0.298 . . . . 0.0 111.274 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.62 -16.3 60.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.396 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.25 -4.29 67.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.756 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -142.3 154.88 45.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 0.0 110.631 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.402 HG21 ' CG ' ' A' ' 153' ' ' PHE . 61.2 mt -109.14 128.04 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.973 0.416 . . . . 0.0 111.467 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.419 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.3 p30 -103.08 172.95 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.502 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 36.3 t80 -57.32 -24.26 53.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.234 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -53.72 7.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.979 0.418 . . . . 0.0 110.379 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.56 -37.59 85.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.213 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -70.27 -25.85 63.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.679 0.276 . . . . 0.0 111.051 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -61.52 -43.28 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.92 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -71.86 -32.63 67.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.468 ' HB3' ' HE3' ' A' ' 157' ' ' MET . 0.1 OUTLIER -56.81 -38.55 72.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.028 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.468 ' HE3' ' HB3' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -99.49 0.7 42.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.479 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.212 0 CA-C-O 121.059 0.456 . . . . 0.0 110.019 179.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.223 0 CA-C-O 120.606 0.241 . . . . 0.0 111.458 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -88.66 -32.09 18.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.831 0.348 . . . . 0.0 110.97 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.02 -24.21 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.402 HD21 ' HG3' ' A' ' 157' ' ' MET . 5.5 mt -62.58 -15.61 52.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.429 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.426 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 82.9 p -69.63 -34.57 74.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.48 -38.63 81.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.92 -12.46 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.375 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 150' ' ' TYR . 66.6 t80 -67.6 -42.72 81.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.674 0.273 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -59.53 -31.71 69.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 32.2 mtt -57.42 -31.41 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.973 0.416 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.04 -18.44 53.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.115 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.12 146.14 25.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.829 0.347 . . . . 0.0 110.817 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -115.91 -45.56 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -82.92 -0.11 46.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.528 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.67 57.51 6.55 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.887 0.375 . . . . 0.0 111.413 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -105.59 -11.59 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.409 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.11 -9.84 58.11 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.694 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -138.49 154.13 48.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 110.724 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.775 HD13 ' CE2' ' A' ' 153' ' ' PHE . 1.8 mp -108.32 134.16 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.192 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -111.81 176.42 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.797 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.36 -29.85 69.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.063 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.58 -28.29 65.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.175 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.5 -43.01 10.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 111.008 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 tp -53.52 -25.19 15.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.263 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 133' ' ' ILE . 6.9 ptmt -84.36 -23.86 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.8 mt -66.21 -57.84 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 111.129 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -56.04 -29.25 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.839 HD13 HG21 ' A' ' 128' ' ' ILE . 4.4 mt -75.24 -38.99 60.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.826 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -66.3 -29.89 70.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.43 -22.84 66.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.324 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.2 p -63.81 -169.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -111.7 6.14 27.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.84 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -108.32 178.19 4.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.756 0.312 . . . . 0.0 110.964 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.1 p -105.12 131.81 52.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.839 HG21 HD13 ' A' ' 121' ' ' LEU . 3.2 mp -127.79 131.42 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 132' ' ' ASP . 3.0 t -87.39 176.15 7.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.752 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.02 -32.65 72.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -47.74 81.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.461 ' H ' HG23 ' A' ' 129' ' ' THR . 10.9 t70 -54.66 -44.52 73.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.082 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 118' ' ' LYS . 44.0 mm -58.08 -34.08 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -70.33 -55.19 9.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.096 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.41 -36.75 78.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.11 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.656 HD12 HD11 ' A' ' 121' ' ' LEU . 1.2 tt -60.21 -41.8 93.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.824 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.776 ' HE3' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -72.35 -36.22 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -29.6 69.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 1.2 t0 -69.21 -12.24 61.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.388 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.456 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.24 -22.58 2.58 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.696 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.01 83.21 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.868 0.366 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -79.22 -37.73 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -82.78 -10.56 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 45.69 45.2 11.02 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.479 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -107.25 14.03 26.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.307 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.88 -17.83 58.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.885 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -145.01 157.69 44.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.839 0.352 . . . . 0.0 111.05 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.776 HD12 ' HE3' ' A' ' 137' ' ' MET . 19.1 mt -108.31 132.56 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.286 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.6 p30 -103.22 174.31 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.423 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.716 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 23.7 t80 -62.48 -28.9 70.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 111.455 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.46 -55.94 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 148' ' ' ILE . 5.0 pt-20 -76.17 -34.82 59.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.949 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.775 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -65.54 -34.15 77.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.639 0.257 . . . . 0.0 111.192 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.716 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 9.7 mt -50.54 -29.65 11.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.877 0.37 . . . . 0.0 110.791 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 158' ' ' LYS . 17.0 mt-10 -79.45 -25.38 41.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.456 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.5 OUTLIER -52.37 -25.33 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 0.0 110.687 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.402 ' HG3' HD21 ' A' ' 97' ' ' LEU . 19.6 mmt -101.51 24.09 10.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.186 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 155' ' ' GLU . 17.2 mmtt . . . . . 0 CA--C 1.531 0.224 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 . . . . . 0 CA--C 1.52 -0.2 0 CA-C-O 121.299 0.571 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.13 -24.43 14.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.833 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.54 ' O ' HD12 ' A' ' 100' ' ' LEU . 3.9 mm-40 -71.01 -25.09 62.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.37 -10.74 59.63 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.55 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.0 p -70.78 -51.39 27.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 111.275 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -56.32 -39.48 72.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 96' ' ' GLU . 0.6 OUTLIER -64.34 -22.05 66.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.325 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' HA ' ' CE2' ' A' ' 153' ' ' PHE . 44.3 t80 -60.96 -50.3 73.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.22 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -31.34 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.186 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -30.97 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.994 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -25.1 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.269 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.46 138.43 31.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.912 0.387 . . . . 0.0 110.995 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -105.11 -44.91 4.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -89.19 7.82 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.364 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 40.65 96.01 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -141.11 -40.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.276 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 136.77 -11.91 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.51 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -135.7 154.22 51.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.781 0.324 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.476 ' CG2' HD21 ' A' ' 117' ' ' LEU . 5.2 mt -108.9 118.96 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.119 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.85 177.41 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.835 ' HG ' HG22 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -56.45 -35.64 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.113 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.45 -46.94 88.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.034 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.36 -48.57 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.476 HD21 ' CG2' ' A' ' 112' ' ' ILE . 18.2 mt -63.85 -40.21 96.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -27.59 66.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.6 mt -89.36 -43.36 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.236 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.46 ' O ' HG23 ' A' ' 124' ' ' THR . 11.6 ttp -64.0 -26.59 68.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.347 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.795 HD12 ' CD1' ' A' ' 133' ' ' ILE . 12.2 mt -84.78 -49.99 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.207 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -58.58 -43.71 89.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.015 0.436 . . . . 0.0 110.55 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.01 -23.16 18.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.518 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 120' ' ' MET . 6.7 p -75.28 177.9 6.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.844 0.354 . . . . 0.0 110.758 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.28 15.5 62.01 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.706 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -115.22 165.03 13.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.323 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.8 p -108.23 126.05 52.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.699 HD13 ' HB3' ' A' ' 121' ' ' LEU . 3.0 mp -128.31 133.91 65.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.9 p -76.57 163.46 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.991 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -31.14 72.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.11 -41.69 99.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.33 -39.86 80.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.835 HG22 ' HG ' ' A' ' 114' ' ' LEU . 34.7 mm -60.54 -29.24 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.66 -45.72 42.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -70.51 -27.44 64.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -57.02 -44.13 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.056 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.414 ' HG3' HD12 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -74.69 -28.19 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.77 -29.64 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.68 -11.45 60.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.465 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.435 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.89 -22.22 2.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.955 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.95 89.55 4.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.876 0.369 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -73.92 -32.31 63.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.734 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -90.3 -1.62 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m120 62.82 17.39 9.87 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.607 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.76 -30.72 71.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.387 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.5 45.91 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -140.31 156.53 46.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.651 HG23 ' HB2' ' A' ' 152' ' ' GLU . 50.4 mt -108.93 116.2 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.23 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -103.91 179.78 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.501 ' O ' HD23 ' A' ' 154' ' ' LEU . 62.2 t80 -51.99 -28.56 17.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.334 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.49 -55.18 6.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.836 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.651 ' HB2' HG23 ' A' ' 148' ' ' ILE . 2.4 mm-40 -60.12 -27.3 66.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.057 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 101' ' ' PHE . 7.7 t80 -65.52 -29.94 70.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.8 mm? -76.0 -41.34 51.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.02 -46.49 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.435 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.4 OUTLIER -45.3 -28.7 0.87 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.406 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 18.7 tpp -79.38 -69.82 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.59 179.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? . . . . . 0 N--CA 1.463 0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.337 -179.589 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 97' ' ' LEU . 11.5 mt-10 . . . . . 0 CA--C 1.53 0.204 0 CA-C-O 120.536 0.208 . . . . 0.0 111.403 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 -73.93 -29.8 62.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.375 . . . . 0.0 110.571 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.77 -25.0 58.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 94' ' ' GLU . 26.4 mt -57.49 -20.64 32.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.363 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.5 p -60.66 -41.37 94.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -37.89 89.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.751 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.12 -28.93 63.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -60.16 -50.63 72.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -60.84 -34.66 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.72 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.72 66.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.727 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.636 ' HB3' HD13 ' A' ' 112' ' ' ILE . 7.3 m-85 -80.17 -18.63 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 147.15 25.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.509 ' HG3' HD13 ' A' ' 119' ' ' ILE . 3.7 tmtt? -110.66 -41.98 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -89.97 7.73 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.636 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.37 68.0 0.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.923 0.392 . . . . 0.0 111.628 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -120.63 -30.28 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.88 -6.97 17.48 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.526 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -128.51 142.69 50.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.749 0.309 . . . . 0.0 110.539 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.636 HD13 ' HB3' ' A' ' 104' ' ' PHE . 26.7 mt -108.75 131.96 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.323 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -115.64 -173.01 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.749 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.838 HD11 ' HG2' ' A' ' 134' ' ' GLU . 0.3 OUTLIER -56.43 -37.69 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -63.33 -55.4 24.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.587 ' CB ' HG23 ' A' ' 112' ' ' ILE . 2.2 mp0 -57.76 -37.5 73.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' A' ' 136' ' ' LEU . 30.1 tp -77.15 -12.93 60.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.355 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.569 ' HA ' HG21 ' A' ' 133' ' ' ILE . 5.4 mttp -82.85 -31.18 28.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.146 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.509 HD13 ' HG3' ' A' ' 106' ' ' LYS . 17.5 pt -75.3 -38.23 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.282 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.418 ' HG3' ' CE2' ' A' ' 104' ' ' PHE . 6.1 tmm? -60.99 -52.34 65.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.788 HD13 HG12 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -67.92 -43.0 80.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -63.3 -26.95 69.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.85 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.05 -23.86 67.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 121' ' ' LEU . 21.6 p -58.49 -172.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.328 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -109.23 13.14 33.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.762 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -120.95 -177.6 3.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 110.801 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.619 ' O ' HD13 ' A' ' 128' ' ' ILE . 7.4 p -95.8 129.34 43.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.732 HG21 HD22 ' A' ' 121' ' ' LEU . 20.6 mm -133.5 120.95 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.099 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.7 t -80.96 171.53 14.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.66 -20.12 65.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.368 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.13 -60.32 2.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.767 0.318 . . . . 0.0 111.133 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -29.02 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.352 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.788 HG12 HD13 ' A' ' 121' ' ' LEU . 24.7 mt -85.67 -11.81 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.838 ' HG2' HD11 ' A' ' 114' ' ' LEU . 16.3 mt-10 -88.91 -37.9 14.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.783 0.325 . . . . 0.0 111.059 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.65 -35.33 77.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.133 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.746 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.49 -31.89 69.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.003 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.476 ' HG3' HD12 ' A' ' 114' ' ' LEU . 1.2 mmt -65.7 -40.79 92.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -72.36 -30.2 64.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 2.0 m-20 -68.36 -17.31 64.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.271 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.455 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.58 -19.66 3.06 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.83 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -81.85 94.96 7.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -81.89 -29.37 32.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -84.9 -5.09 59.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.377 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 49.24 27.96 2.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 111.532 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -81.84 -31.22 31.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.707 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 126.33 -7.19 7.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.73 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -140.83 151.93 44.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.799 0.333 . . . . 0.0 110.753 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.594 HG23 ' HB2' ' A' ' 152' ' ' GLU . 47.9 mt -108.63 134.02 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -103.78 176.81 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.776 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.838 ' CZ ' HD11 ' A' ' 154' ' ' LEU . 63.7 t80 -61.0 -21.53 63.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -53.03 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.378 . . . . 0.0 110.416 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.594 ' HB2' HG23 ' A' ' 148' ' ' ILE . 28.4 mt-10 -67.6 -37.51 82.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.203 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.603 ' CE2' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -72.69 -27.15 61.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.154 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.838 HD11 ' CZ ' ' A' ' 150' ' ' TYR . 1.0 OUTLIER -58.59 -36.53 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 110.623 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -76.7 -27.98 55.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.455 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -55.5 -31.88 62.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.98 20.94 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.012 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.532 0.262 0 CA-C-O 120.584 0.231 . . . . 0.0 111.596 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -88.04 -24.34 23.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.907 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.77 -28.65 64.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.646 HD21 ' HG3' ' A' ' 157' ' ' MET . 0.4 OUTLIER -53.89 -25.17 18.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.246 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.3 p -74.18 -36.32 64.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.691 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -47.94 82.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.39 -23.5 66.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -63.29 -53.71 48.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.059 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -43.91 74.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.991 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 16.0 mtt -53.94 -27.29 30.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.706 ' HB3' HD13 ' A' ' 112' ' ' ILE . 2.5 m-85 -87.06 -13.53 44.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.372 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -97.63 143.91 27.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.802 0.334 . . . . 0.0 110.769 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -115.68 -40.14 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.204 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -81.67 1.02 36.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.695 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.74 62.56 2.4 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.911 0.386 . . . . 0.0 111.21 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -123.32 -8.83 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.651 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.78 -11.33 69.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.582 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -126.36 143.33 51.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.735 0.302 . . . . 0.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.706 HD13 ' HB3' ' A' ' 104' ' ' PHE . 28.8 mt -108.43 133.42 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.902 0.382 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.06 168.44 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -43.25 90.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -21.45 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -85.6 -58.62 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 111.039 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.67 HD21 ' CD2' ' A' ' 136' ' ' LEU . 20.8 tp -48.71 -28.91 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.449 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -20.04 56.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.453 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.4 mt -67.13 -59.02 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.208 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.442 ' HE2' ' HG ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -55.32 -30.08 59.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.697 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.622 HD11 HD12 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -65.94 -31.82 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -72.09 -29.25 63.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.92 -15.88 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.563 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.3 p -65.99 169.9 6.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.769 0.319 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -90.61 -4.1 70.64 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.767 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.57 -178.49 3.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.856 0.36 . . . . 0.0 110.795 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.0 p -120.15 117.84 28.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 133' ' ' ILE . 17.2 mm -116.29 145.08 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -83.44 173.67 11.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.442 ' H ' HG22 ' A' ' 129' ' ' THR . 2.9 mm-40 -81.43 -31.99 32.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.41 -49.75 65.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -51.9 -37.9 54.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 128' ' ' ILE . 29.3 mm -79.23 -40.07 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.305 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.57 -24.36 13.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.294 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.5 17.1 10.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.348 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.67 ' CD2' HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -101.91 -30.18 11.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.844 0.354 . . . . 0.0 110.942 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.455 ' HE1' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -78.44 -43.1 28.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -41.25 87.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.402 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -89.48 8.64 30.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.321 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -126.98 0.61 7.18 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.667 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.25 106.87 13.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.802 0.334 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -75.9 -39.01 57.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -86.69 -2.67 58.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.7 p30 44.11 36.77 1.58 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.723 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -78.11 -36.47 47.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.921 0.391 . . . . 0.0 110.771 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 133.0 -7.17 5.13 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -141.21 151.73 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.455 HD12 ' HE1' ' A' ' 137' ' ' MET . 23.8 mt -108.37 133.19 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.232 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.5 p30 -104.34 -176.51 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.822 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.582 ' CE1' HD13 ' A' ' 154' ' ' LEU . 33.9 t80 -62.53 -43.08 99.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.019 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -57.45 -53.13 61.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.61 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.413 ' HB2' HG23 ' A' ' 148' ' ' ILE . 29.4 mt-10 -63.64 -50.18 70.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.399 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.675 ' CE2' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -61.16 -25.81 67.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.244 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' A' ' 150' ' ' TYR . 2.4 tp -59.26 -33.99 71.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 0.0 110.782 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.87 -33.85 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.727 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.402 ' CE1' ' O ' ' A' ' 139' ' ' ASP . 5.1 t80 -54.74 -22.85 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.646 ' HG3' HD21 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -73.61 -71.35 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.056 179.435 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.514 ' HG2' HD11 ' A' ' 154' ' ' LEU . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.222 0 CA-C-O 120.604 0.24 . . . . 0.0 111.521 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -76.96 -26.95 54.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.768 0.318 . . . . 0.0 110.656 179.695 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -74.76 -24.43 58.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 94' ' ' GLU . 15.6 mt -56.3 -21.91 27.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.6 t -68.04 -45.79 72.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 0.0 110.676 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.47 -43.25 93.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.89 -27.59 61.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.959 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.13 -41.19 98.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -59.25 -40.94 87.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.1 mmm -52.3 -29.37 23.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.75 -20.17 53.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.008 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -93.27 145.27 24.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.503 ' HG3' HD12 ' A' ' 119' ' ' ILE . 3.0 mmpt? -99.65 -34.33 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -115.08 16.35 17.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.501 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.69 72.78 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.75 0.31 . . . . 0.0 111.574 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -115.03 -14.2 11.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.414 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.25 -15.71 60.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.616 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 20.6 m-85 -130.41 139.38 50.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.766 0.317 . . . . 0.0 110.651 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.66 133.14 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -107.68 -177.4 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.77 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.07 -30.94 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.33 -60.38 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.96 -48.53 78.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.574 ' O ' HD12 ' A' ' 121' ' ' LEU . 14.0 tp -54.71 -28.26 46.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -76.88 -30.54 56.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.503 HD12 ' HG3' ' A' ' 106' ' ' LYS . 46.3 mt -70.17 -53.1 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.6 ttp -56.41 -36.49 69.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.629 HD13 HG12 ' A' ' 133' ' ' ILE . 3.7 mt -74.62 -36.82 62.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -68.64 -30.02 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.682 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.04 68.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.6 p -64.43 177.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -106.36 4.55 37.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.836 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -93.28 -178.88 4.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.9 p -113.48 114.99 27.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.54 133.52 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 132' ' ' ASP . 3.3 t -83.07 174.61 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -76.68 -34.12 58.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -49.76 72.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.661 ' H ' HG23 ' A' ' 129' ' ' THR . 5.4 t70 -56.21 -39.21 72.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.629 HG12 HD13 ' A' ' 121' ' ' LEU . 24.6 mt -71.72 -45.31 66.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.255 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.58 -50.4 73.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -28.57 70.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -32.16 73.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -36.77 84.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -70.93 -28.07 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -77.97 -4.44 46.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.424 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.443 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.05 -26.45 1.69 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.563 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.86 95.29 9.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -68.7 -26.14 65.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -102.16 3.46 38.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.419 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.6 t30 46.76 37.55 4.85 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.771 0.319 . . . . 0.0 111.449 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.08 -1.39 44.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.365 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.75 -16.11 58.96 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.783 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -133.85 145.73 49.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.72 HG23 ' HB2' ' A' ' 152' ' ' GLU . 19.8 mt -109.27 129.49 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.226 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.439 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 56.0 p-10 -103.83 -178.72 3.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -59.05 -21.1 58.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.317 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.37 -53.15 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.336 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.72 ' HB2' HG23 ' A' ' 148' ' ' ILE . 8.7 mt-10 -67.57 -35.9 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.954 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -24.79 59.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.18 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.514 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -56.35 -36.41 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.982 0.42 . . . . 0.0 110.785 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -23.62 56.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.998 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.443 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -68.59 -7.47 33.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.615 -179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.94 12.58 9.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.684 0.278 . . . . 0.0 110.984 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 34.6 tttm . . . . . 0 CA--C 1.532 0.27 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.396 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.656 0.265 . . . . 0.0 111.27 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.49 10.41 41.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.305 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.12 -28.23 12.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.227 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 97' ' ' LEU . 17.8 mt -69.64 -14.83 63.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.344 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -51.89 19.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -34.55 73.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.78 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.513 HD23 ' SD ' ' A' ' 103' ' ' MET . 0.8 OUTLIER -73.8 -20.48 60.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -74.2 -36.83 64.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.194 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -50.94 71.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.398 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . 0.513 ' SD ' HD23 ' A' ' 100' ' ' LEU . 17.2 ptm -52.27 -42.87 64.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 110.75 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -58.87 -29.61 67.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.679 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -87.17 143.72 27.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.659 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.529 ' HE3' HG21 ' A' ' 119' ' ' ILE . 1.7 tppt? -107.93 -46.21 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.153 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -88.44 8.29 28.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.66 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.45 73.17 0.16 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.777 0.322 . . . . 0.0 111.541 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -124.08 -4.62 7.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.652 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.4 -4.35 73.32 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.609 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -139.59 144.06 37.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.728 0.299 . . . . 0.0 110.524 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.452 HD13 ' HE2' ' A' ' 153' ' ' PHE . 2.5 mt -108.63 133.6 53.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.211 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -107.46 177.55 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.852 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -28.98 70.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.291 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -69.75 -61.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.103 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.28 -43.62 74.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.454 HD23 ' CG2' ' A' ' 133' ' ' ILE . 35.5 tp -57.28 -24.0 52.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.287 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.582 ' HA ' HD12 ' A' ' 121' ' ' LEU . 35.8 tttp -87.07 -27.32 23.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.243 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.529 HG21 ' HE3' ' A' ' 106' ' ' LYS . 35.7 mt -65.46 -55.08 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.93 -28.12 6.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.267 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 133' ' ' ILE . 47.0 mt -66.27 -37.06 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.81 -29.26 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.73 -21.59 60.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.454 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.2 p -75.8 179.03 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -108.2 3.03 33.14 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.83 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.01 -177.62 3.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.354 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 70.7 p -122.68 109.06 13.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.7 mm -108.35 144.1 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.633 HG23 ' H ' ' A' ' 132' ' ' ASP . 14.1 t -90.65 164.02 14.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.76 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -70.02 -34.52 73.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.261 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.31 -48.6 81.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.633 ' H ' HG23 ' A' ' 129' ' ' THR . 15.2 m-20 -57.04 -38.16 72.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.582 ' CD1' HD11 ' A' ' 121' ' ' LEU . 41.8 mm -74.23 -46.53 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.224 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -52.88 -40.49 63.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.45 -27.97 63.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.401 HD22 HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.62 -31.06 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.002 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -44.03 25.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -63.89 -29.56 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.414 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 5.2 t0 -92.36 -1.29 57.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.521 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.29 1.27 9.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.777 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.42 108.21 15.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.96 0.41 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -85.69 -34.85 21.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -83.72 -6.87 59.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.83 24.14 10.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.414 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -65.82 -37.82 87.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.98 0.419 . . . . 0.0 110.677 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.4 4.46 10.93 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.965 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -144.0 157.76 44.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.813 0.34 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 52.5 mt -108.91 126.6 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.8 p30 -103.68 170.63 7.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -65.62 -20.51 66.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.345 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.74 -58.87 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 111.075 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.445 ' HG3' HG23 ' A' ' 148' ' ' ILE . 10.0 pt-20 -69.22 -34.97 75.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.665 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -61.09 -29.3 69.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.745 0.307 . . . . 0.0 110.941 -179.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -35.76 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -92.89 -35.51 13.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' A' ' 139' ' ' ASP . 46.0 t80 -68.54 -45.67 71.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -2.14 38.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.166 0 CA-C-O 121.195 0.522 . . . . 0.0 109.791 179.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.496 ' HA ' HD12 ' A' ' 97' ' ' LEU . 11.6 mt-10 . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.634 0.255 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.89 -22.12 21.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.834 0.35 . . . . 0.0 110.783 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -79.02 -26.1 43.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.993 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 94' ' ' GLU . 5.4 mt -54.41 -24.04 18.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -67.44 -41.79 84.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.763 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.64 -40.08 86.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -31.11 60.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 150' ' ' TYR . 14.7 t80 -57.72 -50.6 72.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -56.88 -41.8 78.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.5 mtt -54.85 -27.2 40.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.509 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -84.23 -24.51 30.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.24 149.3 21.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.771 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.669 ' HG3' HD12 ' A' ' 119' ' ' ILE . 4.8 mmtm -116.21 -45.18 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -80.4 0.08 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.772 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.93 71.04 0.31 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.927 0.394 . . . . 0.0 111.628 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -123.16 -30.52 3.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.17 -3.45 10.55 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.537 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.408 ' HB3' ' HB3' ' A' ' 147' ' ' ARG . 38.7 m-85 -137.84 147.51 44.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.699 0.285 . . . . 0.0 110.541 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.509 HD13 ' HB3' ' A' ' 104' ' ' PHE . 18.9 mt -108.66 135.64 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.345 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -108.39 176.89 4.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.775 ' HA ' HD12 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -63.55 -28.47 69.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.183 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.48 -57.42 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.98 -40.2 66.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 114' ' ' LEU . 48.1 mt -54.42 -29.29 48.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -89.66 -5.76 56.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.513 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.669 HD12 ' HG3' ' A' ' 106' ' ' LYS . 26.2 mt -91.0 -67.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.614 0.245 . . . . 0.0 111.427 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.651 ' HE2' ' HB2' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -57.92 -21.44 43.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.032 -179.776 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.752 HD11 ' CG2' ' A' ' 128' ' ' ILE . 5.9 tt -69.39 -30.48 68.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.579 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -69.46 -28.05 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.68 -9.15 58.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.651 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.6 p -65.3 -174.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.003 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -103.53 -17.55 17.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.712 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.618 ' HG3' HD11 ' A' ' 128' ' ' ILE . 4.9 pt-20 -105.82 -176.58 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.99 128.73 55.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.752 ' CG2' HD11 ' A' ' 121' ' ' LEU . 5.1 mp -133.14 131.98 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.035 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.0 t -84.21 169.59 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.782 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -63.57 -23.32 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.104 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.69 -55.76 23.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.89 -33.95 62.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.646 HG23 ' HB3' ' A' ' 117' ' ' LEU . 35.6 mt -64.37 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -46.65 89.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -30.58 68.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -32.91 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.504 ' CE ' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -77.4 -43.08 33.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -62.68 -25.59 68.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -100.2 0.29 40.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.86 -27.97 1.47 Allowed Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.846 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.2 97.66 11.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -31.34 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -83.64 -8.1 59.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 58.85 25.87 14.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.445 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -78.12 -3.15 40.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.381 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.21 -9.09 76.43 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.608 -0.805 . . . . 0.0 113.007 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.408 ' HB3' ' HB3' ' A' ' 111' ' ' TYR . 8.2 mmt85 -133.55 155.7 49.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 56.1 mt -108.53 123.84 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.184 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.405 ' OD2' ' CZ ' ' A' ' 111' ' ' TYR . 7.0 t70 -103.61 168.37 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 31.5 t80 -57.36 -41.8 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.017 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.81 -52.99 63.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.18 -40.84 86.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.263 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -27.01 67.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.504 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 13.1 mt -53.69 -37.14 62.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 158' ' ' LYS . 0.4 OUTLIER -80.09 -28.03 39.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.096 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.418 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.7 -54.18 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.56 2.48 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.747 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.29 0 CA-C-O 121.15 0.5 . . . . 0.0 109.949 179.321 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.498 ' HG2' HD11 ' A' ' 154' ' ' LEU . 0.3 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 N-CA-C 111.618 0.229 . . . . 0.0 111.618 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.74 -30.79 46.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 0.0 110.687 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -21.67 55.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.4 mt -56.41 -21.69 26.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.318 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 150' ' ' TYR . 70.9 p -69.84 -39.0 76.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.783 0.325 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.73 -42.44 93.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.0 -22.15 64.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.95 -50.13 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.993 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -33.26 68.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 mtt -57.47 -30.15 64.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -8.7 59.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.9 140.69 33.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.8 0.333 . . . . 0.0 110.806 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.73 -36.75 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.278 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -99.64 8.37 44.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.537 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.4 71.02 0.3 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.784 0.326 . . . . 0.0 111.5 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -120.07 -7.16 9.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.476 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.89 -15.65 62.24 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.515 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -128.89 144.61 51.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.74 0.305 . . . . 0.0 110.754 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mt -108.74 131.62 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -109.12 174.57 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.617 HD13 HD21 ' A' ' 117' ' ' LEU . 4.3 mm? -67.96 -30.84 70.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.081 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.04 -32.22 63.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.092 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.31 -65.19 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.562 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 118' ' ' LYS . 4.1 pp -49.39 -27.04 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.761 ' N ' HD12 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -66.42 -15.16 63.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.195 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.463 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 26.2 mt -90.38 -49.92 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 111.468 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.597 ' O ' HG22 ' A' ' 124' ' ' THR . 0.3 OUTLIER -59.78 -31.96 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.919 -179.212 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 122' ' ' GLN . 4.2 pp -82.74 -41.43 19.25 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.652 ' N ' HD12 ' A' ' 121' ' ' LEU . 20.5 pt20 -64.58 -45.72 85.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 122' ' ' GLN . . . -56.81 -22.36 35.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.214 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 120' ' ' MET . 9.5 t -119.91 107.36 13.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.95 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.13 26.95 11.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.612 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -122.25 -11.0 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 p -111.13 -164.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.725 0.298 . . . . 0.0 111.087 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.586 ' HB ' HD11 ' A' ' 133' ' ' ILE . 3.2 mp -49.69 129.77 7.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.915 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.3 m -79.07 165.79 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -23.74 8.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.685 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -61.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 111.178 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.409 ' CB ' ' CG2' ' A' ' 128' ' ' ILE . 0.7 OUTLIER -59.64 -34.63 73.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.602 -179.513 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.647 ' CG2' HD13 ' A' ' 117' ' ' LEU . 44.8 mm -67.1 -57.29 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.707 0.289 . . . . 0.0 111.395 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -48.25 -29.42 3.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.29 -30.27 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -30.53 70.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.578 ' HG2' HD21 ' A' ' 114' ' ' LEU . 4.6 tpt -57.76 -49.12 77.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.35 -26.28 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -99.21 11.05 40.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.502 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.42 -34.76 0.74 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.38 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.57 99.57 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -80.59 -36.07 33.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -84.53 -6.4 59.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 48.83 27.81 1.71 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 111.63 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -73.81 -36.06 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.495 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.86 -9.59 3.36 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.814 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -141.83 161.87 36.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.755 0.312 . . . . 0.0 110.694 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.603 HG23 ' HG3' ' A' ' 152' ' ' GLU . 24.2 mt -108.14 126.28 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.938 0.399 . . . . 0.0 111.211 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.0 p30 -103.67 179.34 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.459 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 98' ' ' SER . 27.7 t80 -71.38 -19.42 62.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.284 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.35 -60.31 2.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.0 111.018 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.603 ' HG3' HG23 ' A' ' 148' ' ' ILE . 6.0 pt-20 -67.93 -36.96 81.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.814 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -59.81 -25.51 65.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.715 0.293 . . . . 0.0 110.89 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.498 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -57.98 -33.23 68.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.81 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.27 -30.95 33.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.74 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -51.34 -26.13 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.863 179.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.68 -73.98 0.39 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.384 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.406 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -27.86 0.21 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.465 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.86 -26.25 5.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.107 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.56 -15.81 28.12 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.16 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 7.6 t -75.26 -23.72 57.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.76 -44.15 69.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.679 HD13 ' N ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -71.34 -12.81 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.55 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 150' ' ' TYR . 10.2 t80 -69.62 -47.82 62.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.691 0.282 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -31.35 72.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.5 mmt -59.83 -36.66 77.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.76 -16.08 60.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.239 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.78 145.72 24.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.788 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -110.29 -36.32 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.084 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -100.97 4.19 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.435 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.62 59.94 4.02 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.859 0.362 . . . . 0.0 111.228 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -105.82 -8.14 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.428 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.67 -16.29 59.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.783 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -129.71 157.38 42.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 110.77 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.39 138.66 48.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -115.92 -176.07 2.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.35 -24.78 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.44 -37.68 65.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.296 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.744 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -82.19 -46.81 13.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 111.151 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 26.7 tp -50.84 -26.0 5.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.544 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.05 -27.19 30.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.319 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 116' ' ' GLU . 39.7 mt -69.24 -55.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.264 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptm -58.92 -20.3 50.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.377 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.653 HD22 HG13 ' A' ' 128' ' ' ILE . 17.0 mt -83.95 -43.32 15.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.363 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -64.29 -41.99 96.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.011 0.434 . . . . 0.0 110.719 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.24 52.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.394 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.2 p -57.14 -170.33 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -97.84 -15.18 37.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.765 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.64 -179.89 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.95 116.76 25.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.653 HG13 HD22 ' A' ' 121' ' ' LEU . 23.6 mm -104.6 142.75 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.9 p -82.67 -176.2 6.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.475 ' HA ' HD12 ' A' ' 133' ' ' ILE . 47.8 mt-10 -79.7 -43.56 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.11 -43.21 73.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -35.03 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 130' ' ' GLU . 23.8 mt -74.07 -59.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.039 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -57.03 -31.47 65.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.3 -31.79 72.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -46.53 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.847 ' HA ' HD11 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -57.51 -48.36 79.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -54.43 -24.88 21.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -96.28 -12.95 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.48 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.467 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.39 13.8 8.84 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.794 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -114.66 90.61 3.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -82.57 -39.61 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -86.76 -7.51 58.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.631 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.2 m120 44.59 42.33 5.6 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.718 0.294 . . . . 0.0 111.469 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -85.04 3.67 37.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.48 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 99.83 -6.94 58.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.706 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -153.25 166.92 31.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.747 0.308 . . . . 0.0 110.715 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.894 HG21 ' CD1' ' A' ' 153' ' ' PHE . 90.6 mt -108.22 128.44 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 111.293 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 9.4 p30 -104.15 173.38 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.501 ' O ' HD23 ' A' ' 154' ' ' LEU . 25.7 t80 -57.88 -28.24 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.385 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . 0.412 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 0.7 OUTLIER -68.22 -58.54 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.679 -179.374 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.763 ' HG3' HG23 ' A' ' 148' ' ' ILE . 9.6 pt-20 -76.16 -17.35 59.6 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.894 ' CD1' HG21 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -89.57 -37.47 14.67 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.765 -179.312 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 155' ' ' GLU . 3.7 pp -57.3 -44.43 84.08 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.619 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.699 ' N ' HD12 ' A' ' 154' ' ' LEU . 3.8 mt-10 -63.87 -28.43 69.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.487 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.467 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -52.94 -38.29 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.12 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.5 mtm -99.09 -0.2 42.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.57 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.229 0 CA-C-O 121.104 0.478 . . . . 0.0 110.068 179.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 CA--C 1.529 0.149 0 CA-C-O 120.934 0.397 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 -36.01 9.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.966 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -33.64 70.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.28 -25.3 67.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.05 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -38.67 68.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.92 -42.46 99.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.5 mt -67.38 -22.44 65.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CD1' ' CD2' ' A' ' 153' ' ' PHE . 1.9 t80 -62.59 -45.77 91.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.818 0.342 . . . . 0.0 111.061 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -62.33 -31.73 72.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.1 -35.26 74.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.409 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 5.6 m-85 -76.31 -18.32 59.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -87.64 142.32 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.727 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.92 -40.98 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -104.33 11.42 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.38 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.25 56.23 8.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.908 0.385 . . . . 0.0 111.323 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -96.55 -8.67 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.409 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.13 -11.9 70.97 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.646 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -138.27 151.72 47.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.756 0.313 . . . . 0.0 110.771 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 104' ' ' PHE . 17.4 mt -108.69 132.98 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.139 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -107.93 170.85 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.45 -31.56 72.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.78 -47.48 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -55.44 26.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.9 tp -51.53 -27.89 12.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.21 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.791 ' HG3' HD13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -74.3 -27.58 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.987 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.405 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 37.6 mt -62.91 -52.26 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.0 ttp -58.33 -27.8 64.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.34 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.757 HD22 HG12 ' A' ' 133' ' ' ILE . 1.5 mp -77.52 -45.9 24.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.22 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . 0.405 ' HG2' ' HA ' ' A' ' 119' ' ' ILE . 12.4 pt20 -66.86 -44.03 82.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.07 0.462 . . . . 0.0 110.658 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.32 -28.61 65.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.2 156.95 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.64 8.08 76.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.903 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -75.94 155.92 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.18 92.6 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.542 ' HB ' HD23 ' A' ' 121' ' ' LEU . 26.9 mt -127.4 132.25 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.0 t -84.31 168.99 15.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.754 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . 0.807 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -61.75 -35.31 77.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.67 -44.12 76.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.051 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.423 ' HB2' HG22 ' A' ' 128' ' ' ILE . 9.1 m-20 -60.62 -33.27 72.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 130' ' ' GLU . 19.5 mt -71.82 -48.68 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -60.07 -51.98 67.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -28.8 64.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -35.85 81.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -46.89 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -26.31 62.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -82.34 -15.62 52.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.219 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.439 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.57 12.09 8.92 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.698 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -117.92 91.85 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.8 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -79.32 -33.07 43.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -87.36 -3.1 59.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.399 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 47.3 29.15 1.18 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 111.485 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -72.92 -35.57 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.717 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 125.31 -5.39 8.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.848 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mtt85 -142.8 153.26 43.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 110.765 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.681 HG23 ' HB2' ' A' ' 152' ' ' GLU . 46.1 mt -108.96 129.66 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -103.72 179.3 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.633 ' O ' HD23 ' A' ' 154' ' ' LEU . 15.6 t80 -56.07 -25.33 44.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.215 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -54.24 7.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.681 ' HB2' HG23 ' A' ' 148' ' ' ILE . 0.8 OUTLIER -76.7 -23.44 53.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.371 -179.62 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.507 ' HB2' HG22 ' A' ' 148' ' ' ILE . 1.8 t80 -80.98 -43.47 19.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.243 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.751 HD12 ' N ' ' A' ' 155' ' ' GLU . 3.1 pp -61.37 -42.75 99.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.997 0.427 . . . . 0.0 110.648 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -60.93 -34.35 74.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.584 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -49.86 -25.51 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.684 -179.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.62 0.26 15.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.695 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp . . . . . 0 C--N 1.33 -0.249 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.973 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.687 ' HA ' HD12 ' A' ' 97' ' ' LEU . 6.4 mt-10 . . . . . 0 CA--C 1.531 0.24 0 CA-C-O 120.653 0.263 . . . . 0.0 111.618 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -87.23 -38.79 16.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 0.0 110.585 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -64.51 -27.95 69.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.556 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 94' ' ' GLU . 48.2 mt -58.72 -20.79 52.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.568 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 t -52.5 -43.25 64.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.066 0.46 . . . . 0.0 110.898 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -59.31 -38.07 79.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.946 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.628 HD12 HD23 ' A' ' 97' ' ' LEU . 33.2 mt -65.11 -32.25 73.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.76 -52.56 64.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -55.28 -39.71 70.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.4 mtt -55.93 -27.44 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.967 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -81.13 -20.78 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.8 134.64 33.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.834 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -103.35 -43.14 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -95.68 11.57 32.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.467 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.17 71.27 0.31 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.795 0.331 . . . . 0.0 111.401 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -119.87 -4.07 10.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.414 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.18 -10.95 69.01 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.772 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -134.08 151.71 51.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 0.0 110.725 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mt -108.59 118.51 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -107.71 174.64 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.7 -42.21 71.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.38 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -61.27 -53.14 60.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.692 HD22 ' SD ' ' A' ' 137' ' ' MET . 14.1 tp -58.84 -31.03 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -62.63 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 116' ' ' GLU . 10.9 mt -76.66 -41.4 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 ttp -57.03 -45.84 82.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.719 HD12 HG13 ' A' ' 128' ' ' ILE . 4.4 mm? -67.67 -41.94 82.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -65.16 -28.54 69.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.739 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.56 -26.15 68.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.0 p -68.55 -178.64 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -100.05 21.57 44.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.636 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -126.87 174.99 8.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 44.6 p -111.59 123.3 49.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.719 HG13 HD12 ' A' ' 121' ' ' LEU . 19.6 mm -120.74 155.3 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.405 ' N ' HG22 ' A' ' 128' ' ' ILE . 38.6 p -96.01 160.08 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -20.6 59.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.76 -55.45 14.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.27 -43.83 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 29.8 mt -66.44 -28.29 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.42 -31.14 70.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -98.08 24.71 6.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.71 -38.04 8.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.725 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.692 ' SD ' HD22 ' A' ' 117' ' ' LEU . 38.2 mmm -72.43 -23.58 61.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -33.91 73.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.787 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.68 12.31 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.279 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.436 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.36 -35.8 0.68 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.384 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -104.44 118.58 36.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.031 0.443 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -78.75 -21.45 47.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.228 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -89.4 1.97 55.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.292 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.4 t30 49.82 27.96 2.54 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.317 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -71.29 -25.6 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.011 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.38 1.0 47.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.82 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -137.51 149.76 47.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.692 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -109.17 125.51 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.347 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 153' ' ' PHE . 6.2 p30 -103.62 178.83 4.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.693 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.508 ' CE1' HD21 ' A' ' 154' ' ' LEU . 7.6 t80 -61.49 -29.85 70.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.218 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -59.68 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.931 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -63.93 -29.99 71.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.165 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.465 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.57 -42.0 91.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.957 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.508 HD21 ' CE1' ' A' ' 150' ' ' TYR . 1.6 mm? -51.44 -31.93 24.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -87.08 -38.07 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.244 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.436 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -52.02 -25.6 8.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.621 ' SD ' HD22 ' A' ' 97' ' ' LEU . 9.7 mmt -79.51 -73.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.011 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 43.5 mttt . . . . . 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.12 -179.852 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.531 0.245 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -95.43 0.01 52.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.584 0.231 . . . . 0.0 111.321 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.28 -28.24 14.15 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 110.794 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.517 HD21 ' HG2' ' A' ' 157' ' ' MET . 4.0 mt -56.84 -22.25 35.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.1 p -69.91 -31.52 69.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -58.64 -48.37 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.724 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.79 -25.01 59.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 150' ' ' TYR . 58.5 t80 -61.52 -54.17 46.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -53.65 -39.95 65.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.3 mmt -54.3 -25.87 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -85.13 -9.62 57.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.38 136.73 35.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.74 0.305 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HB2' HD11 ' A' ' 119' ' ' ILE . 18.8 tptt -107.14 -41.76 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.056 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -101.16 5.63 42.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.556 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.32 80.51 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.673 0.273 . . . . 0.0 111.63 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -127.57 -1.78 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.623 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.59 -14.78 61.72 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.443 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CZ ' ' OD1' ' A' ' 149' ' ' ASP . 37.6 m-85 -133.49 154.03 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.746 0.307 . . . . 0.0 110.344 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.439 HD13 ' HE2' ' A' ' 153' ' ' PHE . 5.4 mt -108.69 140.81 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.167 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -117.9 176.77 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.655 HD23 HD11 ' A' ' 117' ' ' LEU . 38.8 mt -60.69 -36.4 78.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.58 -35.51 80.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -60.44 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -60.87 -16.87 46.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.251 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.507 ' HD3' HD13 ' A' ' 133' ' ' ILE . 8.4 mmtm -76.78 -52.3 9.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.675 0.274 . . . . 0.0 111.359 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.419 HD11 ' HB2' ' A' ' 106' ' ' LYS . 17.9 pt -56.21 -42.58 73.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.511 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.478 ' HE3' ' HG ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -69.33 -29.53 67.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.128 -179.67 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.79 HD13 HG12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -74.37 -45.65 45.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.962 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -27.26 69.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.42 -5.82 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.701 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 121' ' ' LEU . 42.9 p -66.64 -173.5 0.23 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -99.76 -10.75 45.8 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.859 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -113.28 -178.38 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 128' ' ' ILE . 22.0 p -111.34 126.35 54.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.422 HD13 ' O ' ' A' ' 127' ' ' THR . 30.9 mm -121.15 143.74 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 132' ' ' ASP . 2.5 t -80.34 164.24 23.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -31.6 69.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -48.89 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.11 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.594 ' H ' HG23 ' A' ' 129' ' ' THR . 20.1 m-20 -59.25 -40.86 87.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.041 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.79 HG12 HD13 ' A' ' 121' ' ' LEU . 34.1 mt -69.26 -26.26 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.29 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -81.43 -28.72 34.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.057 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.06 -25.08 65.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.44 -47.69 81.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.091 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.473 ' SD ' HD21 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -61.94 -38.1 87.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.021 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -57.57 -41.62 81.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.411 ' O ' ' CZ ' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -99.46 23.52 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.197 -179.783 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.429 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -132.61 -37.65 0.26 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.274 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.94 112.34 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -36.71 15.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.99 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -82.79 -9.49 59.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.1 t30 57.29 24.44 9.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.404 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -74.8 -16.22 60.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.712 0.292 . . . . 0.0 111.277 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 110.73 -3.08 28.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.012 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -143.75 155.82 44.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.637 HG23 ' HG3' ' A' ' 152' ' ' GLU . 22.7 mt -108.72 133.45 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.3 t70 -103.82 178.7 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.584 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.453 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 31.4 t80 -73.17 -19.98 60.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.384 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -56.74 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.722 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.637 ' HG3' HG23 ' A' ' 148' ' ' ILE . 11.4 pt-20 -71.75 -40.63 69.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.946 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.555 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -59.23 -23.31 62.21 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.062 -179.576 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 150' ' ' TYR . 0.2 OUTLIER -59.77 -30.35 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.719 179.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -34.56 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.429 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -51.63 -26.43 8.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.845 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . 0.517 ' HG2' HD21 ' A' ' 97' ' ' LEU . 3.3 tpp -83.83 -72.74 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.558 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.152 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.487 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -99.52 5.67 46.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.588 0.232 . . . . 0.0 111.39 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -102.05 -29.53 11.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . 0.494 ' CD1' HD13 ' A' ' 154' ' ' LEU . 22.3 mt -59.68 -20.39 55.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.003 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -50.95 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 110.604 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -37.99 74.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.518 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.16 -30.61 49.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -58.85 -39.86 82.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -62.13 -42.53 99.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.745 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtt -55.12 -30.51 59.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . 0.46 ' HB3' HD13 ' A' ' 112' ' ' ILE . 3.3 m-85 -77.82 -27.49 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.679 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -87.24 148.52 25.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . 0.84 ' HD3' HG21 ' A' ' 119' ' ' ILE . 5.3 mmmt -116.17 -45.15 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.027 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -76.67 -2.09 31.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.789 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.65 63.28 2.23 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.913 0.387 . . . . 0.0 111.402 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -122.02 -27.77 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.8 0.28 17.57 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.677 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -137.76 148.99 46.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.368 . . . . 0.0 110.645 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 104' ' ' PHE . 17.4 mt -110.14 129.89 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.295 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.31 179.67 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.549 HD21 ' HA ' ' A' ' 134' ' ' GLU . 0.1 OUTLIER -63.38 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.165 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -76.64 -26.96 55.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.66 -57.45 3.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.932 0.396 . . . . 0.0 111.091 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.594 ' O ' HD13 ' A' ' 121' ' ' LEU . 36.7 tp -49.8 -27.37 4.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.394 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -76.51 -21.62 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.259 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . 0.84 HG21 ' HD3' ' A' ' 106' ' ' LYS . 29.2 mm -66.07 -58.63 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.967 0.413 . . . . 0.0 111.176 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.48 ' CE ' HD12 ' A' ' 121' ' ' LEU . 4.8 ttp -54.31 -24.06 17.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.45 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 117' ' ' LEU . 8.9 mp -79.89 -45.2 19.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -69.14 -43.69 73.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.977 0.418 . . . . 0.0 110.589 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.01 69.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.043 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.54 166.76 22.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.99 10.77 69.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.848 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' A' ' 128' ' ' ILE . 1.7 mm-40 -89.39 164.44 14.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -119.35 100.78 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.527 ' HB ' HD23 ' A' ' 121' ' ' LEU . 3.9 mp -121.87 143.16 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 132' ' ' ASP . 2.8 t -83.09 170.65 14.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.78 -30.89 67.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.774 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.8 -48.47 81.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.443 ' H ' HG23 ' A' ' 129' ' ' THR . 0.9 OUTLIER -57.25 -35.68 70.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.515 HG12 HD22 ' A' ' 121' ' ' LEU . 42.3 mt -66.58 -42.5 90.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . 0.549 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -63.18 -50.9 68.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.0 -29.79 71.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -30.37 68.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.007 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . 0.537 ' SD ' HD22 ' A' ' 117' ' ' LEU . 37.3 mmm -82.49 -33.49 28.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.66 -24.75 67.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -96.88 1.76 50.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.597 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.431 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.11 -29.85 1.17 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.553 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.31 97.38 6.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.703 0.287 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -80.96 -34.02 33.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.97 -4.88 59.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.181 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.7 m120 52.27 27.32 4.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.458 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.87 -34.86 62.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.042 0.449 . . . . 0.0 110.538 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 127.94 -0.61 6.68 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.825 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -143.88 162.29 36.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.496 HG21 ' CD2' ' A' ' 153' ' ' PHE . 50.2 mt -108.19 125.91 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.226 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.2 p30 -103.69 164.62 11.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.973 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.456 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 27.5 t80 -59.52 -20.97 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.295 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.81 -59.26 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.038 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.02 -30.67 65.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.58 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.496 ' CD2' HG21 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -68.28 -35.34 77.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.984 0.421 . . . . 0.0 110.575 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -49.27 -38.91 28.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -75.92 -28.1 57.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -58.54 -26.79 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.91 -1.35 14.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.644 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.193 0 CA-C-O 121.242 0.544 . . . . 0.0 109.749 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . 0.688 ' HG2' HD11 ' A' ' 154' ' ' LEU . 21.5 mt-10 . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.767 0.317 . . . . 0.0 111.588 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.51 -31.94 60.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.702 179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -24.84 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.94 -16.71 60.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.234 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' SER . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 15.2 t -60.76 -42.9 98.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -59.51 -41.33 89.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 100' ' ' LEU . 1.6 mm? -61.81 -25.59 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.023 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' A' ' 150' ' ' TYR . 11.3 t80 -60.78 -44.2 97.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -57.68 -39.49 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.8 mtm -56.78 -29.81 63.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -23.11 41.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.2 146.23 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -40.9 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.044 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -91.68 4.1 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.604 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.66 67.97 0.69 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.853 0.359 . . . . 0.0 111.38 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -119.98 -6.8 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.488 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.73 -13.8 66.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.543 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 26.2 m-85 -133.85 144.28 48.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.686 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.82 135.76 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -112.02 -178.86 3.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.7 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.461 HD13 HG22 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -62.08 -29.99 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.22 -51.76 58.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.33 -48.14 77.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.02 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.505 ' O ' HD12 ' A' ' 121' ' ' LEU . 41.2 mt -53.5 -29.85 38.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -77.84 -22.64 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.4 mt -85.88 -57.9 3.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.8 ttp -52.76 -28.32 21.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 117' ' ' LEU . 60.0 mt -83.28 -27.95 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -27.53 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.73 -7.92 59.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.644 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 121' ' ' LEU . 30.0 p -74.73 -172.06 1.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.822 0.344 . . . . 0.0 110.978 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.34 -5.91 22.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.925 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -100.4 178.39 4.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.1 p -109.62 127.5 54.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.8 mp -133.04 128.73 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.042 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' THR . . . . . 0.542 HG23 ' H ' ' A' ' 132' ' ' ASP . 8.9 t -79.37 176.81 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.981 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.51 -31.55 67.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.65 -49.67 70.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ASP . . . . . 0.542 ' H ' HG23 ' A' ' 129' ' ' THR . 0.1 OUTLIER -53.6 -34.74 59.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ILE . . . . . 0.461 HG22 HD13 ' A' ' 114' ' ' LEU . 37.1 mt -72.61 -40.14 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.29 -45.39 88.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.73 -29.83 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -45.65 92.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -34.46 72.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -27.71 65.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -73.97 -10.02 59.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.382 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLY . . . . . 0.462 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.84 -23.18 2.31 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.832 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.25 88.14 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.966 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -75.2 -31.84 61.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.719 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -89.68 -5.93 56.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.0 m120 52.2 37.11 21.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.638 0.256 . . . . 0.0 111.555 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -84.87 3.45 37.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.387 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.57 -12.12 69.43 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.71 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -140.9 157.2 45.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.469 HG23 ' HG3' ' A' ' 152' ' ' GLU . 59.4 mt -109.11 125.84 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.299 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.2 p30 -103.39 170.89 7.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.692 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' TYR . . . . . 0.719 ' CE1' HD23 ' A' ' 154' ' ' LEU . 17.4 t80 -60.47 -21.3 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.356 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.49 -58.48 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.083 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' GLU . . . . . 0.469 ' HG3' HG23 ' A' ' 148' ' ' ILE . 11.4 pt-20 -74.44 -30.41 61.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.859 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.2 OUTLIER -65.98 -33.2 75.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.583 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' LEU . . . . . 0.719 HD23 ' CE1' ' A' ' 150' ' ' TYR . 0.2 OUTLIER -50.24 -30.29 11.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.4 -25.46 42.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' PHE . . . . . 0.462 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.65 -18.95 34.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.175 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.24 20.63 16.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.831 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.189 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 2.6 mtt . . . . . 0 N--CA 1.488 1.434 0 CA-C-O 120.843 0.354 . . . . 0.0 111.141 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.7 p -99.25 -39.54 7.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.118 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -141.26 -48.68 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.835 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m -84.94 110.4 18.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.785 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 7.0 tpt -158.73 130.25 6.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.7 tttt 60.76 -174.38 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.96 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -96.9 164.07 12.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -61.1 120.41 10.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.812 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.5 t -125.83 78.91 1.79 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -178.32 0.31 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.95 -112.96 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.495 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.9 mtmp? -88.99 115.37 26.5 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.852 0.358 . . . . 0.0 110.946 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.3 t -111.65 -168.31 1.29 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.822 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -56.91 -50.67 71.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.965 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -44.51 -29.49 0.72 Allowed 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.432 -179.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 57.2 mm-40 -56.15 -30.42 62.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.805 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.2 mt -67.36 -14.5 62.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.077 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 80.1 p -59.92 -34.21 72.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.813 0.34 . . . . 0.0 110.721 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -69.52 -30.29 68.09 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.8 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -80.55 -30.82 37.08 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.981 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 150' ' ' TYR . 15.7 t80 -65.72 -43.24 89.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 39.3 ttm180 -62.06 -34.0 75.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.805 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.5 mmm -58.52 -36.51 73.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.572 ' HB3' HD13 ' A' ' 112' ' ' ILE . 5.4 m-85 -71.01 -23.13 62.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.054 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -90.38 145.82 24.65 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.721 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.66 -38.02 5.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.953 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.4 p-10 -97.2 3.33 51.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.416 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.92 67.64 0.87 Allowed 'General case' 0 C--N 1.334 -0.105 0 CA-C-O 120.818 0.342 . . . . 0.0 111.496 179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.4 p-10 -116.47 -8.11 11.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.343 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.99 -16.99 59.16 Favored Glycine 0 CA--C 1.518 0.252 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.614 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 -126.78 140.13 52.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.78 0.324 . . . . 0.0 110.659 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.572 HD13 ' HB3' ' A' ' 104' ' ' PHE . 18.3 mt -108.56 135.17 48.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.18 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -108.09 -179.71 3.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.937 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.57 HD21 ' HG2' ' A' ' 134' ' ' GLU . 2.4 mp -65.71 -32.72 74.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.057 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -73.33 -40.05 64.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.09 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.752 ' HA ' HD12 ' A' ' 119' ' ' ILE . 4.7 mt-10 -68.38 -60.48 2.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.968 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 44.5 tp -49.93 -27.62 5.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.255 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.49 ' HG2' HD13 ' A' ' 133' ' ' ILE . 0.2 OUTLIER -67.21 -38.99 86.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.044 -179.889 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.752 HD12 ' HA ' ' A' ' 116' ' ' GLU . 6.8 mt -61.28 -45.87 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 13.2 tmm? -63.14 -29.3 70.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.27 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.622 HD13 HG12 ' A' ' 133' ' ' ILE . 18.9 mt -77.89 -49.02 15.03 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.253 -179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -58.61 -42.43 88.15 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.085 0.469 . . . . 0.0 110.615 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.74 30.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.711 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 121' ' ' LEU . 20.9 p -59.63 172.26 0.73 Allowed 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -82.46 -11.42 82.02 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.864 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.42 -178.29 3.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.816 0.341 . . . . 0.0 111.004 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -114.05 123.92 50.86 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 26.9 mm -114.26 139.89 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.25 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.457 HG22 ' H ' ' A' ' 130' ' ' GLU . 2.1 m -86.58 170.06 12.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.693 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.792 ' HA ' HD12 ' A' ' 133' ' ' ILE . 8.8 mt-10 -64.81 -38.39 90.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.918 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -59.52 -45.36 91.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.91 -40.39 95.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.924 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.792 HD12 ' HA ' ' A' ' 130' ' ' GLU . 13.1 mt -64.28 -40.46 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.052 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.57 ' HG2' HD21 ' A' ' 114' ' ' LEU . 2.2 tm-20 -69.84 -33.0 71.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.969 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -59.57 -29.92 68.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.04 -36.25 69.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.959 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 1.3 mmt -63.53 -56.06 19.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.91 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.5 tttm -63.15 -23.99 67.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.15 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 3.6 m-20 -80.86 -15.25 56.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.451 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.452 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -122.53 -4.88 8.76 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.861 179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -101.86 93.23 5.19 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.946 0.403 . . . . 0.0 110.848 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.24 -30.37 27.73 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.025 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.5 p-10 -86.68 -3.65 59.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.285 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 63.9 m-80 45.96 42.01 8.77 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.777 0.322 . . . . 0.0 111.596 179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -86.26 -34.37 20.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.982 0.42 . . . . 0.0 110.566 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 130.06 -4.89 6.05 Favored Glycine 0 CA--C 1.52 0.356 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.743 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 19.1 mtt180 -149.68 160.8 43.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.732 0.301 . . . . 0.0 110.802 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.473 HG23 ' HG3' ' A' ' 152' ' ' GLU . 28.2 mt -108.62 128.75 64.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.184 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.5 p30 -102.86 167.55 9.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.956 179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.431 ' HB2' ' CE2' ' A' ' 101' ' ' PHE . 88.8 t80 -56.45 -28.25 59.09 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.76 -179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -69.25 -60.23 2.48 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.754 0.311 . . . . 0.0 111.233 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.473 ' HG3' HG23 ' A' ' 148' ' ' ILE . 14.5 pt-20 -71.33 -27.47 63.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.855 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.516 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.3 OUTLIER -72.55 -35.48 68.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.836 0.35 . . . . 0.0 110.719 -179.867 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 154' ' ' LEU . 1.6 tp -52.24 -41.19 62.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.799 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -70.42 -27.41 64.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.734 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.452 ' CE2' ' CA ' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.07 -50.07 74.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.985 -179.893 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.7 mmt -80.95 0.25 36.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.59 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 25.7 mttt -98.75 41.65 1.13 Allowed 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.079 0.466 . . . . 0.0 110.024 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 116.32 123.22 3.5 Favored Glycine 0 N--CA 1.45 -0.39 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -133.79 35.64 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.862 0.363 . . . . 0.0 111.204 -179.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.907 0.384 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -104.5 82.13 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.45 -38.98 3.42 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.16 171.76 13.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 43.8 ttm 59.91 63.31 1.49 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.69 -62.25 0.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.799 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -105.97 127.51 53.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -70.64 161.74 30.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.875 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.98 -71.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.903 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 12.7 mttt -57.27 147.89 24.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.973 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -116.51 -96.98 2.0 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.8 -179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.74 73.98 6.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.875 0.369 . . . . 0.0 111.252 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 94' ' ' GLU . 0.0 OUTLIER -85.25 -92.56 0.09 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.028 179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.443 ' H ' HG23 ' A' ' 93' ' ' THR . 4.7 pt-20 -100.77 -37.58 8.65 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.232 0.539 . . . . 0.0 110.758 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 54.5 mt-10 -56.54 -23.73 42.0 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.441 -0.8 . . . . 0.0 110.8 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -73.22 -25.81 60.89 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.995 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 92.9 mt -53.28 -24.16 10.83 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.384 -179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.5 t -68.63 -32.75 72.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.827 0.346 . . . . 0.0 110.724 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -44.32 67.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.858 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -73.49 -27.95 61.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -56.62 -42.12 78.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.994 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 34.8 mmt-85 -60.15 -36.04 76.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.883 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 41.6 mmm -54.93 -35.23 63.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -73.92 -20.91 60.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -87.41 136.98 32.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.822 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.527 ' HD3' HG21 ' A' ' 119' ' ' ILE . 31.4 tptt -107.69 -50.14 3.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.135 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.7 p30 -89.54 6.42 41.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.518 -179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.96 70.15 0.43 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.822 0.344 . . . . 0.0 111.386 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 p-10 -116.98 -3.18 11.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.509 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.4 -5.9 67.95 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.521 -0.847 . . . . 0.0 112.637 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.423 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 29.2 m-85 -143.95 163.28 33.9 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.755 0.312 . . . . 0.0 110.786 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.795 HD13 ' CE2' ' A' ' 153' ' ' PHE . 1.9 mp -117.72 125.44 74.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.075 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -107.18 178.23 4.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.47 HD23 ' SD ' ' A' ' 137' ' ' MET . 20.5 mt -63.46 -34.87 78.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.971 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -73.09 -23.1 60.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.235 -179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -90.39 -55.42 3.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.824 0.345 . . . . 0.0 111.117 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' A' ' 136' ' ' LEU . 52.8 tp -50.51 -29.75 11.26 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.392 -179.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.568 ' HA ' HG21 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -73.62 -20.21 60.65 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.139 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.527 HG21 ' HD3' ' A' ' 106' ' ' LYS . 22.6 mm -74.64 -54.77 13.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.811 0.339 . . . . 0.0 111.066 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 4.0 ppp? -53.74 -26.0 21.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.326 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.539 HD13 HG12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -85.07 -33.43 22.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.953 -179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -69.12 -30.05 68.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.3 -24.65 67.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.281 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.5 p -58.33 174.32 0.31 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.786 0.327 . . . . 0.0 110.952 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.62 9.76 75.23 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.841 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.429 ' OE1' HD11 ' A' ' 128' ' ' ILE . 8.4 pt-20 -114.99 -177.24 3.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.773 0.321 . . . . 0.0 110.771 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 82.6 p -121.29 115.06 22.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.782 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.467 HG22 ' N ' ' A' ' 129' ' ' THR . 24.7 mm -113.14 158.29 13.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.135 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.619 HG23 ' H ' ' A' ' 132' ' ' ASP . 4.3 t -94.95 163.78 13.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.99 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -71.16 -24.77 62.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.055 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.42 -55.49 11.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.929 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.619 ' H ' HG23 ' A' ' 129' ' ' THR . 1.1 t70 -54.29 -37.07 64.35 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.074 -179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.568 HG21 ' HA ' ' A' ' 118' ' ' LYS . 19.2 mt -72.73 -28.35 27.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.095 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -70.93 -45.03 64.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.065 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -60.63 -30.89 70.15 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.629 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -60.01 -31.11 69.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.962 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.47 ' SD ' HD23 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -70.31 -37.76 74.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.98 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -71.35 -28.87 64.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.041 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -79.02 -3.32 44.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.488 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.96 -27.18 1.58 Allowed Glycine 0 C--N 1.332 0.332 0 C-N-CA 120.597 -0.811 . . . . 0.0 112.661 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.33 93.48 9.1 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -62.25 -23.81 66.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.045 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -113.24 10.36 18.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.219 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 48.88 38.39 12.04 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.577 -0.283 . . . . 0.0 111.708 179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.34 -6.37 49.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.63 0.252 . . . . 0.0 111.46 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.81 -16.02 55.88 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.62 -0.8 . . . . 0.0 112.725 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 8.9 mtt180 -131.68 144.15 50.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.875 0.369 . . . . 0.0 110.741 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.531 HG23 ' HB2' ' A' ' 152' ' ' GLU . 46.9 mt -110.0 131.88 59.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.601 -179.657 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.423 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.2 p30 -103.79 178.07 4.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.562 179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -62.66 -21.13 65.48 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.186 -179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.25 -53.12 8.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.942 0.401 . . . . 0.0 110.293 179.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.531 ' HB2' HG23 ' A' ' 148' ' ' ILE . 21.6 mt-10 -65.93 -40.56 91.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.942 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.795 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -67.92 -24.96 65.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.104 -179.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.39 -39.9 70.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.892 0.377 . . . . 0.0 110.808 179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -81.41 -27.27 34.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.82 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.418 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.2 OUTLIER -58.46 -45.59 88.28 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.922 179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -86.07 4.72 36.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.481 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 12.0 tttt -99.31 35.21 1.99 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.223 0.535 . . . . 0.0 109.918 179.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 117.03 123.78 3.46 Favored Glycine 0 N--CA 1.448 -0.517 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -178.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.416 HG22 ' O ' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -133.71 42.24 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.836 0.35 . . . . 0.0 111.128 -179.011 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 . . . . . 0 C--N 1.328 -0.368 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.965 179.953 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.801 0.334 . . . . 0.0 111.221 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 19.4 t 68.96 -67.57 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.062 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 10.5 ttt-85 -95.51 136.57 35.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 5.0 p -127.62 -45.75 1.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.904 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -169.73 108.27 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.939 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 5.9 pttt -110.29 -178.46 3.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.866 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -76.88 132.38 39.09 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.852 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.21 -77.42 0.09 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.787 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 13.3 t -125.98 170.48 11.66 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.658 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -171.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.938 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -73.39 -143.11 0.61 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.664 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -68.63 113.72 6.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.726 0.298 . . . . 0.0 111.045 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.94 -156.53 0.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.686 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.6 mt-10 -72.22 -4.94 32.4 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.476 179.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.82 -29.87 35.91 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.813 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -71.07 -20.72 62.33 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.164 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.424 HD21 ' HG3' ' A' ' 157' ' ' MET . 0.3 OUTLIER -54.9 -23.07 17.02 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.282 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.3 p -65.79 -46.94 76.83 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.88 0.371 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -59.16 -41.52 88.55 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.962 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.58 -30.02 62.77 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.942 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -59.19 -46.46 88.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.935 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 6.0 mmm180 -58.87 -35.72 73.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.1 mmt -58.18 -29.85 65.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.942 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.43 ' CE1' ' HG3' ' A' ' 120' ' ' MET . 4.6 m-85 -79.73 -23.75 42.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -90.09 141.05 29.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.767 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.3 tppt? -114.25 -44.6 3.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 -85.19 1.09 49.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.451 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.16 71.19 0.34 Allowed 'General case' 0 C--N 1.332 -0.157 0 CA-C-O 120.812 0.339 . . . . 0.0 111.464 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 20.9 p-10 -123.05 -1.17 8.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.497 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.76 -11.91 71.04 Favored Glycine 0 C--N 1.332 0.335 0 C-N-CA 120.563 -0.827 . . . . 0.0 112.693 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -136.01 145.74 46.41 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.779 0.323 . . . . 0.0 110.708 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.554 HD13 ' HE2' ' A' ' 153' ' ' PHE . 3.2 mt -108.51 128.07 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.167 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -107.45 -175.95 2.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.86 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 1.8 tp -66.75 -31.88 72.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.219 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -67.16 -56.56 9.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.028 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -58.32 -49.53 76.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.941 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.448 HD21 HD22 ' A' ' 136' ' ' LEU . 26.7 tp -57.33 -37.42 72.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.439 ' HA ' HD21 ' A' ' 121' ' ' LEU . 13.7 tttt -54.18 -22.72 12.08 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.511 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.435 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 23.9 mt -82.41 -32.14 10.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.017 0.437 . . . . 0.0 111.345 -179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.495 ' O ' HG23 ' A' ' 124' ' ' THR . 6.4 tmm? -53.19 -40.82 64.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.153 -179.031 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.74 ' HB2' HD13 ' A' ' 128' ' ' ILE . 0.0 OUTLIER -95.53 -18.79 20.33 Favored 'General case' 0 N--CA 1.464 0.255 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 -179.189 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.435 ' HG2' ' HA ' ' A' ' 119' ' ' ILE . 4.0 pt20 -79.46 -45.85 18.61 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.78 0.324 . . . . 0.0 110.948 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.409 ' N ' ' CG ' ' A' ' 122' ' ' GLN . . . -59.37 -30.84 68.7 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.302 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.495 HG23 ' O ' ' A' ' 120' ' ' MET . 71.5 p -68.08 170.59 8.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.915 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.39 7.68 79.9 Favored Glycine 0 CA--C 1.519 0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.896 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.75 ' OE1' HD11 ' A' ' 128' ' ' ILE . 4.7 pt-20 -94.8 173.09 7.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.813 0.34 . . . . 0.0 110.918 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 38.2 p -119.24 108.46 14.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.75 HD11 ' OE1' ' A' ' 126' ' ' GLU . 3.2 mp -119.57 142.72 33.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.943 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.454 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -97.62 -175.46 3.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.145 -179.795 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.454 ' H ' HG22 ' A' ' 129' ' ' THR . 0.3 OUTLIER -85.56 8.92 17.55 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.989 -0.551 . . . . 0.0 111.475 -179.935 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.65 -53.75 4.17 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.844 0.354 . . . . 0.0 110.62 179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.04 -30.64 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.041 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 38.7 mt -72.18 -54.06 17.77 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.155 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -55.07 -28.91 55.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.216 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -93.06 15.49 15.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.274 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.448 HD22 HD21 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -101.81 -31.91 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 0.0 110.923 179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.491 ' HA ' HD11 ' A' ' 148' ' ' ILE . 2.7 mtp -83.79 -39.55 19.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.838 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.1 mmmt -58.3 -30.14 66.42 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -81.84 -5.71 58.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.327 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.06 -3.23 8.99 Favored Glycine 0 C--N 1.332 0.345 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.783 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.49 93.37 6.12 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.9 0.381 . . . . 0.0 110.819 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 3.8 mmtp -77.11 -37.39 54.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.986 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.9 p30 -86.88 -2.79 58.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.299 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 51.59 28.42 4.67 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.475 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 32.8 p-10 -70.05 -36.47 75.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.897 0.379 . . . . 0.0 110.796 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 124.69 3.31 7.8 Favored Glycine 0 CA--C 1.519 0.315 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.88 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 72.0 mtt180 -150.55 161.07 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.778 0.323 . . . . 0.0 110.839 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 137' ' ' MET . 55.6 mt -108.79 127.45 65.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.181 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -103.64 173.96 6.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.658 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.852 ' CZ ' HD11 ' A' ' 154' ' ' LEU . 73.7 t80 -57.58 -28.06 63.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.182 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.6 -55.0 7.57 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.917 0.389 . . . . 0.0 110.455 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -64.61 -38.32 90.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.218 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.554 ' HE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -70.9 -29.15 65.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.767 0.318 . . . . 0.0 110.968 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.852 HD11 ' CZ ' ' A' ' 150' ' ' TYR . 1.2 mp -59.68 -43.61 93.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.56 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -77.47 -31.96 54.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.724 179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.431 ' O ' HG22 ' A' ' 160' ' ' VAL . 2.2 t80 -56.87 -29.95 63.4 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.057 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.424 ' HG3' HD21 ' A' ' 97' ' ' LEU . 15.8 mmt -105.19 1.52 28.32 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.5 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.47 36.05 1.99 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.025 0.44 . . . . 0.0 110.132 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 109.19 115.02 3.75 Favored Glycine 0 N--CA 1.449 -0.468 0 N-CA-C 111.452 -0.659 . . . . 0.0 111.452 -178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.431 HG22 ' O ' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -133.52 53.36 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 121.003 0.43 . . . . 0.0 110.999 -179.356 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.787 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.0 mtm . . . . . 0 N--CA 1.487 1.402 0 CA-C-O 120.76 0.314 . . . . 0.0 111.335 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 18.9 m -76.94 161.25 4.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.9 ttm-85 60.19 101.57 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.014 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.5 p -152.07 -46.32 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.4 ttp -162.78 142.06 8.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.849 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -152.89 -47.03 0.1 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -114.25 93.62 4.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -132.37 -79.14 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.107 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.3 m -126.58 28.55 5.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.095 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 28.4 mttp -90.76 65.45 5.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.093 -179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -81.12 168.56 50.76 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.124 179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.429 ' HA ' ' HG2' ' A' ' 96' ' ' GLU . 7.4 mmtt -119.42 31.39 6.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.088 0.47 . . . . 0.0 111.172 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 2.8 m -117.23 -52.98 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.625 -179.111 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -81.81 -30.05 32.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.657 -179.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -95.84 -8.37 34.35 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.001 179.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 92' ' ' LYS . 18.2 mm-40 -89.85 -27.52 19.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.88 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.613 HD21 ' HG2' ' A' ' 157' ' ' MET . 36.8 mt -58.1 -20.84 43.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.165 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.1 t -65.24 -46.45 80.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.0 110.81 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.92 -39.26 81.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.619 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.6 mp -70.96 -28.88 64.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.748 179.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -62.18 -48.62 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 64.8 mtt180 -59.35 -40.18 85.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.794 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -55.26 -30.22 59.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.689 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -77.64 -19.62 55.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -86.39 142.09 28.7 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.652 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.74 -40.07 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.079 -179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 16.6 p-10 -103.71 11.89 35.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.491 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.8 75.36 0.11 Allowed 'General case' 0 CA--C 1.529 0.14 0 CA-C-O 120.775 0.321 . . . . 0.0 111.558 179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -120.5 -6.13 9.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.655 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 95.62 -10.86 68.75 Favored Glycine 0 C--N 1.333 0.366 0 C-N-CA 120.549 -0.834 . . . . 0.0 112.615 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.431 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 18.6 m-85 -137.75 153.08 49.76 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.721 0.296 . . . . 0.0 110.618 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 17.9 mt -108.46 131.09 59.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 0.0 111.042 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -110.56 173.73 6.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.853 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.493 ' H ' HD12 ' A' ' 114' ' ' LEU . 4.1 mp -62.06 -35.93 80.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.4 -29.87 68.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.173 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.595 ' HA ' HD12 ' A' ' 119' ' ' ILE . 1.6 mp0 -85.54 -47.18 10.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.672 HD21 ' HB3' ' A' ' 136' ' ' LEU . 14.9 tp -55.73 -41.18 73.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.085 -179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.553 ' HA ' HD12 ' A' ' 121' ' ' LEU . 1.2 pttp -59.77 -33.54 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.907 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.595 HD12 ' HA ' ' A' ' 116' ' ' GLU . 22.9 mt -72.32 -46.99 54.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.016 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 9.2 tmm? -53.43 -30.95 43.02 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.073 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.553 HD12 ' HA ' ' A' ' 118' ' ' LYS . 5.5 mt -76.36 -33.05 58.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.852 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -68.99 -25.04 64.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -64.26 -30.96 71.99 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.136 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 81.6 p -69.25 168.68 13.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.376 -0.374 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -89.81 11.88 69.06 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.748 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -110.54 177.47 4.68 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.843 0.354 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 27.4 p -112.42 124.81 53.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 27.4 mm -120.0 140.6 43.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.7 t -97.6 -179.1 4.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.878 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -66.49 -27.69 67.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.999 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -60.82 -53.9 51.73 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.856 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.08 -37.96 78.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' A' ' 130' ' ' GLU . 17.6 mt -64.69 -48.04 86.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.094 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -70.84 -31.13 67.74 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.925 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -71.89 -44.57 63.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.672 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.2 OUTLIER -60.1 -30.41 69.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.984 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.524 ' HE2' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -75.76 -46.03 33.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.947 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.27 -27.54 68.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.003 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -77.77 -9.67 59.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.456 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.437 ' HA3' ' CD2' ' A' ' 156' ' ' PHE . . . -123.1 -24.62 1.99 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.744 179.887 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -74.0 92.08 2.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.836 0.351 . . . . 0.0 111.158 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -78.57 -37.26 43.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.712 179.762 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -89.36 -5.06 57.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.291 179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 50.69 31.6 6.03 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.756 0.313 . . . . 0.0 111.402 179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -83.36 1.36 41.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.429 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.29 -12.9 67.61 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.593 -0.813 . . . . 0.0 112.918 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.8 mtt180 -140.56 151.23 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.92 0.391 . . . . 0.0 110.919 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.524 HD12 ' HE2' ' A' ' 137' ' ' MET . 19.0 mt -108.89 132.48 56.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.241 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.509 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.8 p30 -103.46 178.93 4.42 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.71 179.766 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -69.59 -19.72 63.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.703 -179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -73.37 -56.86 4.5 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.833 0.349 . . . . 0.0 110.763 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.441 ' HG3' HG23 ' A' ' 148' ' ' ILE . 6.9 pt-20 -70.76 -37.16 73.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.634 -179.518 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.509 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.3 OUTLIER -64.83 -29.2 70.15 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.806 0.336 . . . . 0.0 110.907 -179.851 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.607 ' O ' HD13 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -51.66 -32.55 29.98 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.615 179.631 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -83.64 -27.51 29.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.758 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.442 ' O ' HG22 ' A' ' 160' ' ' VAL . 1.6 t80 -51.31 -31.25 20.96 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.88 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.613 ' HG2' HD21 ' A' ' 97' ' ' LEU . 0.2 OUTLIER -78.54 -72.71 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.18 179.629 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -61.81 69.36 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.127 -179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.509 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 117.65 88.14 1.28 Allowed Glycine 0 N--CA 1.45 -0.375 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.236 -179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.442 HG22 ' O ' ' A' ' 156' ' ' PHE . 3.4 t -95.99 41.0 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 111.12 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.785 0.326 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 23.2 t 69.17 -65.63 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . 0.413 ' H ' ' HG2' ' A' ' 83' ' ' ARG . 0.0 OUTLIER -101.15 -54.67 2.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.168 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.6 t 59.83 114.43 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.898 0.38 . . . . 0.0 111.045 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.2 ttt -89.31 136.32 33.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.771 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.2 tttt -127.32 -66.89 0.86 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.043 -179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -75.83 122.52 24.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.954 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -132.14 148.6 52.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.883 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 74.5 m -67.28 100.22 0.79 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -111.97 -171.02 1.76 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -101.22 -126.46 5.84 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.419 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.2 135.46 36.8 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.771 0.32 . . . . 0.0 110.782 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.5 p -113.65 175.99 5.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.242 -179.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -82.57 0.58 42.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.404 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -97.32 -29.84 13.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.97 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -58.04 -32.94 68.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.924 0.392 . . . . 0.0 110.915 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.507 HD13 ' HG ' ' A' ' 154' ' ' LEU . 2.4 mt -64.78 -27.28 68.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.084 -179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.62 -51.02 62.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.859 0.361 . . . . 0.0 110.789 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -61.05 -28.43 69.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.809 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 17.5 mt -86.76 -30.38 21.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -63.84 -43.08 97.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.912 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 80.5 mtt180 -56.66 -36.69 69.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.062 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 10.4 mtt -56.25 -28.0 57.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.855 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -88.14 -10.76 48.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.381 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -103.7 136.05 44.12 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.749 0.309 . . . . 0.0 110.889 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 10.7 mmtm -115.87 -40.05 3.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.013 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -80.89 0.34 35.67 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.699 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.15 59.01 4.85 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-O 120.934 0.397 . . . . 0.0 111.289 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -120.63 -7.12 9.66 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.601 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 91.71 -14.13 64.9 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.575 -0.821 . . . . 0.0 112.689 -179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 38.6 m-85 -125.28 148.82 48.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.728 0.299 . . . . 0.0 110.721 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.736 HD13 ' CE2' ' A' ' 153' ' ' PHE . 2.4 mp -115.65 127.39 73.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.237 -179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -108.9 178.65 4.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.962 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 6.3 tp -60.51 -39.92 89.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.131 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.92 -38.02 72.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.03 -179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.669 ' OE1' HG23 ' A' ' 112' ' ' ILE . 12.4 tt0 -69.34 -62.86 1.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.87 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.502 HD13 HG21 ' A' ' 112' ' ' ILE . 15.0 tp -49.13 -27.97 3.91 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.993 -0.548 . . . . 0.0 111.18 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.56 ' HA ' HD21 ' A' ' 121' ' ' LEU . 24.7 mttm -59.55 -29.1 67.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.045 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 5.3 mt -81.66 -41.22 18.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.419 ' HE2' ' N ' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -53.99 -44.15 70.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.912 -179.846 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.592 HD22 HG12 ' A' ' 133' ' ' ILE . 2.9 pp -72.32 -34.93 68.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.1 -28.08 69.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.798 179.68 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.52 -28.46 68.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.293 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 32.4 p -72.82 -178.14 2.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.918 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -110.3 13.71 30.84 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.628 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 38.0 mm-40 -103.76 177.85 4.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.846 0.355 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 80.4 p -110.01 123.38 49.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.894 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 17.1 mm -122.35 134.35 65.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.076 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.688 HG23 ' H ' ' A' ' 132' ' ' ASP . 8.2 t -86.02 172.19 10.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.489 ' HA ' HD12 ' A' ' 133' ' ' ILE . 4.7 pt-20 -72.84 -36.22 67.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.957 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.57 -47.41 86.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.688 ' H ' HG23 ' A' ' 129' ' ' THR . 0.8 OUTLIER -58.61 -38.58 78.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.095 -179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.592 HG12 HD22 ' A' ' 121' ' ' LEU . 19.9 mt -70.48 -47.07 67.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.12 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -58.95 -48.0 83.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.034 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -61.35 -31.44 71.32 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.973 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -31.83 72.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.951 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -71.15 -44.33 65.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.83 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -65.16 -29.07 69.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.976 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -82.18 -6.76 59.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.371 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.458 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.07 -2.38 9.25 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.595 -0.812 . . . . 0.0 112.728 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -106.34 102.72 12.1 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.762 0.315 . . . . 0.0 110.801 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 26.4 mmtp -84.03 -36.77 22.88 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.096 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -83.82 -7.7 59.39 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.235 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.5 m-80 52.35 26.73 4.28 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.524 179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 26.1 p-10 -69.93 -36.12 75.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.924 0.392 . . . . 0.0 110.702 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 131.66 -0.54 5.04 Favored Glycine 0 CA--C 1.52 0.372 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.851 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -149.37 161.26 42.42 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.826 0.313 . . . . 0.0 110.798 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.445 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 28.6 mt -108.7 127.81 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.27 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 4.3 p30 -103.68 179.64 4.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.685 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.785 ' O ' HD13 ' A' ' 154' ' ' LEU . 13.5 t80 -60.93 -29.06 69.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.279 -179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -70.84 -54.83 10.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.043 0.449 . . . . 0.0 110.402 179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.408 ' HB2' HG23 ' A' ' 148' ' ' ILE . 22.8 mt-10 -65.02 -41.62 95.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.405 -179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.736 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -69.05 -26.25 64.87 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.721 0.296 . . . . 0.0 111.028 -179.753 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.785 HD13 ' O ' ' A' ' 150' ' ' TYR . 0.8 OUTLIER -59.41 -37.02 76.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.372 . . . . 0.0 110.542 179.648 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.27 -29.85 48.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.723 179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.458 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.24 -18.06 23.78 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.288 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.38 17.85 18.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.781 0.324 . . . . 0.0 110.702 179.61 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -76.31 15.61 0.56 Allowed 'General case' 0 CA--C 1.531 0.234 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -179.158 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 119.99 -9.24 11.35 Favored Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.261 -0.971 . . . . 0.0 113.728 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.47 HG23 ' N ' ' A' ' 161' ' ' GLU . 35.4 m -46.63 -43.12 5.91 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 117.13 0.465 . . . . 0.0 111.415 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.47 ' N ' HG23 ' A' ' 160' ' ' VAL . 1.1 pt-20 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.772 0.32 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 16.7 t 69.8 -64.65 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.194 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.45 101.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -117.84 104.85 11.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.738 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 12.1 mtt -91.94 97.16 10.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.72 -167.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.148 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -93.06 -160.24 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.742 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -50.96 177.22 0.01 OUTLIER 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.706 0.289 . . . . 0.0 111.189 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 64.0 p -113.39 -30.09 7.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.237 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -100.69 134.37 43.77 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -124.74 28.77 5.12 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.599 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mttm -82.25 59.78 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.01 0.433 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 11.7 p -113.41 -148.95 0.44 Allowed 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.683 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.723 ' HG2' HD11 ' A' ' 154' ' ' LEU . 0.6 OUTLIER -71.41 -3.91 23.49 Favored 'General case' 0 CA--C 1.53 0.197 0 CA-C-O 120.658 0.266 . . . . 0.0 111.577 179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -92.54 -28.99 16.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.729 0.3 . . . . 0.0 110.96 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -72.41 -26.86 62.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.016 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.479 ' HA ' HD12 ' A' ' 100' ' ' LEU . 2.0 mt -55.43 -23.15 23.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.183 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.1 m -61.17 -37.05 81.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.789 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.49 -36.73 85.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.479 HD12 ' HA ' ' A' ' 97' ' ' LEU . 6.7 mt -77.16 -31.4 55.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.441 ' CZ ' HD11 ' A' ' 112' ' ' ILE . 35.3 t80 -59.96 -43.3 95.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.98 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -55.63 -38.84 70.05 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.074 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mmt -55.63 -25.02 36.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.035 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -83.91 -22.07 31.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.042 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -99.17 138.32 36.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.704 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 26.2 mmmt -107.96 -36.41 6.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.111 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 49.3 p-10 -101.04 6.11 43.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.545 -179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.34 75.3 0.12 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.746 0.308 . . . . 0.0 111.36 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.7 p-10 -121.57 -3.73 9.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.534 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.68 -17.04 59.4 Favored Glycine 0 C--N 1.332 0.342 0 C-N-CA 120.471 -0.871 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.419 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 27.8 m-85 -134.12 142.88 47.67 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.808 0.337 . . . . 0.0 110.69 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.712 HD13 ' CE2' ' A' ' 153' ' ' PHE . 3.7 mp -108.62 135.44 47.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.167 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -107.73 -179.69 3.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.936 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.15 -29.32 66.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.085 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -69.06 -55.04 11.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.078 -179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.757 ' HA ' HD12 ' A' ' 119' ' ' ILE . 3.4 mt-10 -58.73 -50.7 72.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.866 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.653 HD22 ' SD ' ' A' ' 137' ' ' MET . 38.4 tp -50.24 -27.75 6.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.192 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -64.93 -31.86 73.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.883 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.757 HD12 ' HA ' ' A' ' 116' ' ' GLU . 4.3 mt -75.68 -44.29 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.032 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.4 tmm? -52.51 -35.93 54.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.09 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.656 HD12 ' CD1' ' A' ' 128' ' ' ILE . 3.9 mm? -81.89 -31.32 31.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.852 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -27.87 66.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.809 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.72 -32.71 71.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.079 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 77.4 p -75.5 171.61 13.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.828 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -93.58 19.85 50.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.703 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -104.06 171.07 7.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.831 0.348 . . . . 0.0 110.926 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -121.25 113.18 19.58 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.656 ' CD1' HD12 ' A' ' 121' ' ' LEU . 4.3 mt -126.03 141.15 46.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.182 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 14.5 t -85.51 167.32 15.55 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.455 ' HA ' HD12 ' A' ' 133' ' ' ILE . 1.4 tm-20 -67.14 -23.4 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.093 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.54 -57.7 7.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.878 0.371 . . . . 0.0 110.92 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -56.49 -36.76 69.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.129 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.455 HD12 ' HA ' ' A' ' 130' ' ' GLU . 20.7 mt -71.18 -30.65 41.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.126 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -70.9 -50.6 33.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.963 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -59.84 -31.02 69.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -31.2 72.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.653 ' SD ' HD22 ' A' ' 117' ' ' LEU . 86.9 mmm -80.66 -40.56 25.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 -179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -58.77 -25.45 63.07 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.106 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -89.79 10.06 24.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.428 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.44 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.56 -34.19 0.77 Allowed Glycine 0 C--N 1.333 0.383 0 C-N-CA 120.606 -0.806 . . . . 0.0 112.309 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.08 96.97 6.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 0.0 110.97 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 4.2 mmmm -72.7 -29.22 63.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.3 p30 -96.62 2.8 52.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.386 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 54.97 24.31 5.8 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.725 0.298 . . . . 0.0 111.274 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -63.62 -16.3 60.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.396 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.25 -4.29 67.16 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.756 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 6.9 mtt180 -142.3 154.88 45.07 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.795 0.331 . . . . 0.0 110.631 179.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.402 HG21 ' CG ' ' A' ' 153' ' ' PHE . 61.2 mt -109.14 128.04 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.973 0.416 . . . . 0.0 111.467 -179.748 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.419 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 2.3 p30 -103.08 172.95 6.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.502 179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.417 ' HA ' ' CE2' ' A' ' 101' ' ' PHE . 36.3 t80 -57.32 -24.26 53.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.234 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -77.14 -53.72 7.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.979 0.418 . . . . 0.0 110.379 179.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -66.56 -37.59 85.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.213 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.712 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -70.27 -25.85 63.54 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.679 0.276 . . . . 0.0 111.051 -179.743 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.723 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -61.52 -43.28 99.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.92 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -71.86 -32.63 67.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.005 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.468 ' HB3' ' HE3' ' A' ' 157' ' ' MET . 0.1 OUTLIER -56.81 -38.55 72.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.028 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.468 ' HE3' ' HB3' ' A' ' 156' ' ' PHE . 0.0 OUTLIER -99.49 0.7 42.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.312 -0.403 . . . . 0.0 111.479 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -99.55 39.94 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.059 0.456 . . . . 0.0 110.019 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 114.0 120.98 3.6 Favored Glycine 0 N--CA 1.451 -0.311 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -179.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.34 42.38 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.926 0.393 . . . . 0.0 111.131 -179.417 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.91 179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.861 0.362 . . . . 0.0 111.036 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.36 -46.37 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.9 mtt180 -144.64 -66.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -147.46 -55.41 0.23 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.931 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 16.6 mmt -78.63 177.39 8.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.867 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 6.4 mttp 59.77 67.64 0.86 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.761 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -118.87 -67.4 0.99 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.946 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -60.65 174.58 0.57 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.044 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.96 -150.39 0.44 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.673 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.64 72.16 6.3 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.868 0.366 . . . . 0.0 110.576 179.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -55.23 141.66 37.3 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.847 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.9 mtmt -93.09 88.51 6.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.878 0.37 . . . . 0.0 110.783 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.407 ' N ' ' HG2' ' A' ' 96' ' ' GLU . 17.2 p -113.06 -158.21 0.64 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.591 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -70.7 -6.96 41.12 Favored 'General case' 0 CA--C 1.531 0.223 0 CA-C-N 116.668 -0.242 . . . . 0.0 111.458 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -88.66 -32.09 18.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.831 0.348 . . . . 0.0 110.97 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 93' ' ' THR . 0.1 OUTLIER -73.02 -24.21 60.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.402 HD21 ' HG3' ' A' ' 157' ' ' MET . 5.5 mt -62.58 -15.61 52.15 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.429 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.426 ' HA ' ' CE1' ' A' ' 150' ' ' TYR . 82.9 p -69.63 -34.57 74.23 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.857 0.361 . . . . 0.0 110.86 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -68.48 -38.63 81.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.884 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 4.8 mp -77.92 -12.46 59.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.375 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.432 ' CE1' ' HA ' ' A' ' 150' ' ' TYR . 66.6 t80 -67.6 -42.72 81.97 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.674 0.273 . . . . 0.0 111.11 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -59.53 -31.71 69.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 32.2 mtt -57.42 -31.41 65.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.973 0.416 . . . . 0.0 110.876 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -79.04 -18.44 53.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.115 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.12 146.14 25.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.829 0.347 . . . . 0.0 110.817 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -115.91 -45.56 2.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.03 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 43.1 p30 -82.92 -0.11 46.89 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.528 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 50.67 57.51 6.55 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.887 0.375 . . . . 0.0 111.413 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.8 p30 -105.59 -11.59 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.409 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 101.11 -9.84 58.11 Favored Glycine 0 C--N 1.331 0.301 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.694 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 34.4 m-85 -138.49 154.13 48.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.787 0.327 . . . . 0.0 110.724 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.775 HD13 ' CE2' ' A' ' 153' ' ' PHE . 1.8 mp -108.32 134.16 51.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.192 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -111.81 176.42 5.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.797 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 3.1 mp -67.36 -29.85 69.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.063 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -69.58 -28.29 65.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.175 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -90.5 -43.01 10.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.892 0.377 . . . . 0.0 111.008 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 27.2 tp -53.52 -25.19 15.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.263 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.457 ' HA ' HD12 ' A' ' 133' ' ' ILE . 6.9 ptmt -84.36 -23.86 29.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.203 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 30.8 mt -66.21 -57.84 8.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.755 0.312 . . . . 0.0 111.129 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.7 ptt? -56.04 -29.25 60.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.203 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.839 HD13 HG21 ' A' ' 128' ' ' ILE . 4.4 mt -75.24 -38.99 60.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.826 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mm100 -66.3 -29.89 70.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.805 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.43 -22.84 66.81 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.324 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 19.2 p -63.81 -169.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.953 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -111.7 6.14 27.81 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.84 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -108.32 178.19 4.57 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.756 0.312 . . . . 0.0 110.964 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.1 p -105.12 131.81 52.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.861 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.839 HG21 HD13 ' A' ' 121' ' ' LEU . 3.2 mp -127.79 131.42 69.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 132' ' ' ASP . 3.0 t -87.39 176.15 7.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.752 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -69.02 -32.65 72.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.969 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.98 -47.74 81.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.461 ' H ' HG23 ' A' ' 129' ' ' THR . 10.9 t70 -54.66 -44.52 73.34 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.082 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.457 HD12 ' HA ' ' A' ' 118' ' ' LYS . 44.0 mm -58.08 -34.08 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.236 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -70.33 -55.19 9.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.096 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.41 -36.75 78.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.11 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.656 HD12 HD11 ' A' ' 121' ' ' LEU . 1.2 tt -60.21 -41.8 93.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.824 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.776 ' HE3' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -72.35 -36.22 68.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.843 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.18 -29.6 69.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.982 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.436 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 1.2 t0 -69.21 -12.24 61.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.388 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.456 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.24 -22.58 2.58 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.696 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -69.01 83.21 0.32 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.868 0.366 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -79.22 -37.73 37.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.686 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -82.78 -10.56 58.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.167 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 45.69 45.2 11.02 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.479 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.6 p-10 -107.25 14.03 26.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.307 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 95.88 -17.83 58.57 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.885 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -145.01 157.69 44.05 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.839 0.352 . . . . 0.0 111.05 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.776 HD12 ' HE3' ' A' ' 137' ' ' MET . 19.1 mt -108.31 132.56 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.286 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.516 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.6 p30 -103.22 174.31 5.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.423 179.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.716 ' CZ ' HD21 ' A' ' 154' ' ' LEU . 23.7 t80 -62.48 -28.9 70.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.801 0.334 . . . . 0.0 111.455 -179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.46 -55.94 20.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 0.0 111.131 -179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.439 ' HG3' HG23 ' A' ' 148' ' ' ILE . 5.0 pt-20 -76.17 -34.82 59.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.949 -179.188 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.775 ' CE2' HD13 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -65.54 -34.15 77.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.639 0.257 . . . . 0.0 111.192 -179.676 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.716 HD21 ' CZ ' ' A' ' 150' ' ' TYR . 9.7 mt -50.54 -29.65 11.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.877 0.37 . . . . 0.0 110.791 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 158' ' ' LYS . 17.0 mt-10 -79.45 -25.38 41.96 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.889 179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.456 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.5 OUTLIER -52.37 -25.33 9.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.811 0.339 . . . . 0.0 110.687 179.582 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.402 ' HG3' HD21 ' A' ' 97' ' ' LEU . 19.6 mmt -101.51 24.09 10.19 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.186 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 155' ' ' GLU . 17.2 mmtt -77.19 12.49 1.45 Allowed 'General case' 0 CA--C 1.531 0.224 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 119.26 -0.87 14.48 Favored Glycine 0 C--N 1.334 0.438 0 C-N-CA 120.365 -0.921 . . . . 0.0 113.357 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.479 HG23 ' N ' ' A' ' 161' ' ' GLU . 36.0 m -45.84 -44.73 4.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.184 0 CA-C-N 116.986 0.393 . . . . 0.0 111.519 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.479 ' N ' HG23 ' A' ' 160' ' ' VAL . 7.7 pt-20 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.929 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 7.7 ttm . . . . . 0 N--CA 1.488 1.443 0 CA-C-O 120.754 0.311 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.29 125.2 40.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.112 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 22.3 ptt180 -136.26 114.48 11.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.1 m -105.11 -64.65 1.11 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.92 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -152.97 154.49 35.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 28.5 mtmm -91.2 135.32 33.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -122.2 -34.09 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.34 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -103.45 44.29 1.03 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.054 -179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 85.6 p -125.25 -88.2 0.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 26.1 mmtt -126.51 123.72 38.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.798 0.332 . . . . 0.0 110.967 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -65.64 -157.64 0.4 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.556 179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' A' ' 96' ' ' GLU . 38.3 mttm -119.32 61.31 0.82 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.805 0.336 . . . . 0.0 110.925 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.61 ' HA ' ' HB2' ' A' ' 96' ' ' GLU . 66.2 m -68.96 -27.49 65.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.909 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -62.77 -38.19 89.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.299 0.571 . . . . 0.0 110.336 179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -99.13 -24.43 14.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.833 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.61 ' HB2' ' HA ' ' A' ' 93' ' ' THR . 3.9 mm-40 -71.01 -25.09 62.53 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.136 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 50.2 mt -77.37 -10.74 59.63 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.55 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 53.0 p -70.78 -51.39 27.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.813 0.34 . . . . 0.0 111.275 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -56.32 -39.48 72.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.151 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.54 HD12 ' O ' ' A' ' 96' ' ' GLU . 0.6 OUTLIER -64.34 -22.05 66.82 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.325 -179.78 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' HA ' ' CE2' ' A' ' 153' ' ' PHE . 44.3 t80 -60.96 -50.3 73.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.22 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -31.34 63.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.186 -179.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -30.97 71.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.994 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.53 -25.1 53.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.269 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.46 138.43 31.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.912 0.387 . . . . 0.0 110.995 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 13.9 mmtt -105.11 -44.91 4.66 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 p-10 -89.19 7.82 33.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.364 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 40.65 96.01 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.359 0.503 . . . . 0.0 112.359 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -141.11 -40.9 0.39 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.276 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 136.77 -11.91 3.96 Favored Glycine 0 N--CA 1.451 -0.328 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.51 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -135.7 154.22 51.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.781 0.324 . . . . 0.0 110.733 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.476 ' CG2' HD21 ' A' ' 117' ' ' LEU . 5.2 mt -108.9 118.96 57.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.119 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -107.85 177.41 4.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.835 ' HG ' HG22 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -56.45 -35.64 68.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.113 -179.802 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -60.45 -46.94 88.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.034 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -58.36 -48.57 80.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.476 HD21 ' CG2' ' A' ' 112' ' ' ILE . 18.2 mt -63.85 -40.21 96.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.36 -27.59 66.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.991 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 11.6 mt -89.36 -43.36 14.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.236 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.46 ' O ' HG23 ' A' ' 124' ' ' THR . 11.6 ttp -64.0 -26.59 68.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.347 -179.726 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.795 HD12 ' CD1' ' A' ' 133' ' ' ILE . 12.2 mt -84.78 -49.99 7.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.207 -179.729 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -58.58 -43.71 89.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.015 0.436 . . . . 0.0 110.55 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -55.01 -23.16 18.1 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.518 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 120' ' ' MET . 6.7 p -75.28 177.9 6.21 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.844 0.354 . . . . 0.0 110.758 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.28 15.5 62.01 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.706 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -115.22 165.03 13.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.777 0.323 . . . . 0.0 110.845 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 17.8 p -108.23 126.05 52.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.894 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.699 HD13 ' HB3' ' A' ' 121' ' ' LEU . 3.0 mp -128.31 133.91 65.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.136 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 2.9 p -76.57 163.46 26.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.991 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.14 -31.14 72.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.955 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -63.11 -41.69 99.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.845 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -58.33 -39.86 80.57 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.835 HG22 ' HG ' ' A' ' 114' ' ' LEU . 34.7 mm -60.54 -29.24 44.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -74.66 -45.72 42.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -70.51 -27.44 64.18 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.993 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.465 HD23 HD13 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -57.02 -44.13 82.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.056 -179.866 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.414 ' HG3' HD12 ' A' ' 114' ' ' LEU . 0.6 OUTLIER -74.69 -28.19 60.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.99 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.77 -29.64 68.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.907 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.68 -11.45 60.18 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.465 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.435 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.89 -22.22 2.47 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.955 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -78.95 89.55 4.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.876 0.369 . . . . 0.0 111.083 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 5.1 mmmt -73.92 -32.31 63.48 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.734 179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -90.3 -1.62 57.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.143 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 2.2 m120 62.82 17.39 9.87 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.607 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.76 -30.72 71.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.914 0.387 . . . . 0.0 110.93 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.88 2.5 45.91 Favored Glycine 0 CA--C 1.519 0.298 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.902 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -140.31 156.53 46.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.785 0.326 . . . . 0.0 110.872 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.651 HG23 ' HB2' ' A' ' 152' ' ' GLU . 50.4 mt -108.93 116.2 51.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.23 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 9.5 p30 -103.91 179.78 4.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.726 179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.501 ' O ' HD23 ' A' ' 154' ' ' LEU . 62.2 t80 -51.99 -28.56 17.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.334 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.49 -55.18 6.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.836 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.651 ' HB2' HG23 ' A' ' 148' ' ' ILE . 2.4 mm-40 -60.12 -27.3 66.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.057 179.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.434 ' CE2' ' HA ' ' A' ' 101' ' ' PHE . 7.7 t80 -65.52 -29.94 70.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.105 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.501 HD23 ' O ' ' A' ' 150' ' ' TYR . 3.8 mm? -76.0 -41.34 51.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.159 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -68.02 -46.49 71.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.96 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.549 ' O ' HG22 ' A' ' 160' ' ' VAL . 0.4 OUTLIER -45.3 -28.7 0.87 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.406 -179.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.5 ' O ' ' N ' ' A' ' 159' ' ' GLY . 18.7 tpp -79.38 -69.82 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.59 179.684 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -62.74 66.34 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.337 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 115.3 89.33 1.6 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.062 -0.59 . . . . 0.0 112.202 -179.667 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.549 HG22 ' O ' ' A' ' 156' ' ' PHE . 3.4 t -92.21 -44.27 14.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 0.0 111.048 -179.777 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.838 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.814 0.34 . . . . 0.0 111.172 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 12.0 p -93.68 138.01 21.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.107 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 mtp180 -150.08 118.99 6.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m -166.56 -43.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.856 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.39 -31.12 70.06 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 90.6 mttt -103.41 51.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -78.99 170.35 16.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.807 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -105.45 25.91 10.12 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.972 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 87.7 p -125.96 145.38 50.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.836 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 mtmt -125.57 167.79 14.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.84 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -99.48 -175.59 31.26 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.384 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.417 ' HA ' ' HG3' ' A' ' 96' ' ' GLU . 0.2 OUTLIER -93.18 84.18 4.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.939 0.399 . . . . 0.0 110.841 179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.761 HG23 ' H ' ' A' ' 95' ' ' GLU . 10.3 t -113.66 -158.62 0.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.609 ' HA ' HD12 ' A' ' 97' ' ' LEU . 11.5 mt-10 -69.45 -8.34 45.95 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.403 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.761 ' H ' HG23 ' A' ' 93' ' ' THR . 2.0 tp10 -73.93 -29.8 62.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.375 . . . . 0.0 110.571 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.417 ' HG3' ' HA ' ' A' ' 92' ' ' LYS . 0.7 OUTLIER -74.77 -25.0 58.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.904 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.609 HD12 ' HA ' ' A' ' 94' ' ' GLU . 26.4 mt -57.49 -20.64 32.45 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.363 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 87.5 p -60.66 -41.37 94.85 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.855 0.359 . . . . 0.0 110.861 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.36 -37.89 89.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.751 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.12 -28.93 63.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -60.16 -50.63 72.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.881 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -60.84 -34.66 74.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.367 -0.378 . . . . 0.0 110.72 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.42 -31.72 66.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.727 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.636 ' HB3' HD13 ' A' ' 112' ' ' ILE . 7.3 m-85 -80.17 -18.63 49.14 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -87.29 147.15 25.65 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.509 ' HG3' HD13 ' A' ' 119' ' ' ILE . 3.7 tmtt? -110.66 -41.98 4.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.112 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.1 p-10 -89.97 7.73 35.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.636 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.37 68.0 0.64 Allowed 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.923 0.392 . . . . 0.0 111.628 179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -120.63 -30.28 4.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.201 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 116.88 -6.97 17.48 Favored Glycine 0 CA--C 1.52 0.37 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.526 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 57.6 m-85 -128.51 142.69 50.99 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.749 0.309 . . . . 0.0 110.539 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.636 HD13 ' HB3' ' A' ' 104' ' ' PHE . 26.7 mt -108.75 131.96 57.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.323 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -115.64 -173.01 2.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.749 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.838 HD11 ' HG2' ' A' ' 134' ' ' GLU . 0.3 OUTLIER -56.43 -37.69 70.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.145 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -63.33 -55.4 24.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.959 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.587 ' CB ' HG23 ' A' ' 112' ' ' ILE . 2.2 mp0 -57.76 -37.5 73.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.746 HD21 ' HB3' ' A' ' 136' ' ' LEU . 30.1 tp -77.15 -12.93 60.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.355 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.569 ' HA ' HG21 ' A' ' 133' ' ' ILE . 5.4 mttp -82.85 -31.18 28.13 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.146 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.509 HD13 ' HG3' ' A' ' 106' ' ' LYS . 17.5 pt -75.3 -38.23 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.282 -179.815 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.418 ' HG3' ' CE2' ' A' ' 104' ' ' PHE . 6.1 tmm? -60.99 -52.34 65.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.037 -179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.788 HD13 HG12 ' A' ' 133' ' ' ILE . 0.6 OUTLIER -67.92 -43.0 80.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.052 -179.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -63.3 -26.95 69.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.85 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -65.05 -23.86 67.31 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.331 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.579 HG23 ' O ' ' A' ' 121' ' ' LEU . 21.6 p -58.49 -172.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.79 0.328 . . . . 0.0 110.903 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -109.23 13.14 33.78 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.762 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -120.95 -177.6 3.53 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.745 0.307 . . . . 0.0 110.801 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.619 ' O ' HD13 ' A' ' 128' ' ' ILE . 7.4 p -95.8 129.34 43.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.901 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.732 HG21 HD22 ' A' ' 121' ' ' LEU . 20.6 mm -133.5 120.95 40.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.099 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 9.7 t -80.96 171.53 14.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.804 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -66.66 -20.12 65.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.368 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -72.13 -60.32 2.29 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.767 0.318 . . . . 0.0 111.133 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.64 -29.02 23.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.352 -179.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.788 HG12 HD13 ' A' ' 121' ' ' LEU . 24.7 mt -85.67 -11.81 11.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.652 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.838 ' HG2' HD11 ' A' ' 114' ' ' LEU . 16.3 mt-10 -88.91 -37.9 14.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.783 0.325 . . . . 0.0 111.059 -179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -61.65 -35.33 77.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.133 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.746 ' HB3' HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.49 -31.89 69.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.003 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.476 ' HG3' HD12 ' A' ' 114' ' ' LEU . 1.2 mmt -65.7 -40.79 92.63 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.964 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 31.9 tttp -72.36 -30.2 64.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.035 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.447 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 2.0 m-20 -68.36 -17.31 64.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.271 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.455 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.58 -19.66 3.06 Favored Glycine 0 CA--C 1.518 0.265 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.83 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -81.85 94.96 7.18 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.8 0.333 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 27.0 mmmt -81.89 -29.37 32.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.088 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 34.0 m120 -84.9 -5.09 59.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.377 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 18.0 m-20 49.24 27.96 2.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 111.532 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 3.3 p30 -81.84 -31.22 31.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.707 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 126.33 -7.19 7.57 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.911 -0.661 . . . . 0.0 112.73 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 13.8 mtm180 -140.83 151.93 44.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.799 0.333 . . . . 0.0 110.753 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.594 HG23 ' HB2' ' A' ' 152' ' ' GLU . 47.9 mt -108.63 134.02 51.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.308 -179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -103.78 176.81 5.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.776 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.838 ' CZ ' HD11 ' A' ' 154' ' ' LEU . 63.7 t80 -61.0 -21.53 63.65 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.188 -179.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.25 -53.03 7.78 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.893 0.378 . . . . 0.0 110.416 179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.594 ' HB2' HG23 ' A' ' 148' ' ' ILE . 28.4 mt-10 -67.6 -37.51 82.65 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.203 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.603 ' CE2' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -72.69 -27.15 61.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.154 -179.635 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.838 HD11 ' CZ ' ' A' ' 150' ' ' TYR . 1.0 OUTLIER -58.59 -36.53 74.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.916 0.389 . . . . 0.0 110.623 179.81 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -76.7 -27.98 55.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.825 179.618 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.455 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -55.5 -31.88 62.41 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.953 179.876 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -95.98 20.94 9.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.012 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.69 17.61 0.68 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -179.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 119.62 -3.5 13.48 Favored Glycine 0 C--N 1.332 0.325 0 C-N-CA 120.288 -0.958 . . . . 0.0 113.757 178.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 161' ' ' GLU . 20.9 m -46.07 -44.34 5.29 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 117.113 0.457 . . . . 0.0 111.41 -179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.491 ' N ' HG23 ' A' ' 160' ' ' VAL . 12.5 mm-40 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.6 ttt . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.806 0.336 . . . . 0.0 111.211 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.9 p -110.62 153.21 12.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.045 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 7.5 ttm-85 -166.12 35.78 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.949 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 6.3 t -150.75 136.98 18.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 24.1 mtt 60.17 -179.99 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.908 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -129.71 171.43 12.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.956 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -130.55 -166.92 1.75 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -112.66 98.81 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.774 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 62.2 m -115.93 -10.3 11.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.564 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -42.5 167.76 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 121.064 0.459 . . . . 0.0 111.964 -179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -78.49 -126.94 0.45 Allowed Glycine 0 N--CA 1.452 -0.236 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.932 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.4 ' HB2' ' CG ' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -88.38 118.35 27.93 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.024 0.44 . . . . 0.0 111.36 -179.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -112.68 -149.67 0.45 Allowed 'General case' 0 CA--C 1.533 0.317 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.746 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -5.04 15.78 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.584 0.231 . . . . 0.0 111.596 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -88.04 -24.34 23.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.578 -0.283 . . . . 0.0 110.907 179.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.4 ' CG ' ' HB2' ' A' ' 92' ' ' LYS . 0.0 OUTLIER -70.77 -28.65 64.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.1 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.646 HD21 ' HG3' ' A' ' 157' ' ' MET . 0.4 OUTLIER -53.89 -25.17 18.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.246 -179.837 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 97.3 p -74.18 -36.32 64.04 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.691 179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -47.94 82.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.854 179.849 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 9.2 mt -65.39 -23.5 66.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -63.29 -53.71 48.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.059 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.0 -43.91 74.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.991 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 16.0 mtt -53.94 -27.29 30.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.904 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.706 ' HB3' HD13 ' A' ' 112' ' ' ILE . 2.5 m-85 -87.06 -13.53 44.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.372 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -97.63 143.91 27.83 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.802 0.334 . . . . 0.0 110.769 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 8.5 mmtp -115.68 -40.14 3.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.204 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -81.67 1.02 36.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.695 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 47.74 62.56 2.4 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.911 0.386 . . . . 0.0 111.21 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -123.32 -8.83 8.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.651 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.78 -11.33 69.9 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.582 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 23.2 m-85 -126.36 143.33 51.21 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.735 0.302 . . . . 0.0 110.709 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.706 HD13 ' HB3' ' A' ' 104' ' ' PHE . 28.8 mt -108.43 133.42 53.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.902 0.382 . . . . 0.0 111.102 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.06 168.44 9.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -43.25 90.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.16 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -21.45 63.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.172 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -85.6 -58.62 2.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.976 0.417 . . . . 0.0 111.039 -179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.67 HD21 ' CD2' ' A' ' 136' ' ' LEU . 20.8 tp -48.71 -28.91 3.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.449 -179.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -76.83 -20.04 56.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.453 -179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 28.4 mt -67.13 -59.02 4.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.822 0.344 . . . . 0.0 111.208 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.442 ' HE2' ' HG ' ' A' ' 121' ' ' LEU . 0.3 OUTLIER -55.32 -30.08 59.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.165 -179.697 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.622 HD11 HD12 ' A' ' 133' ' ' ILE . 0.8 OUTLIER -65.94 -31.82 72.96 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.972 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 59.5 mm-40 -72.09 -29.25 63.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.929 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -71.92 -15.88 62.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.563 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 38.3 p -65.99 169.9 6.22 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.769 0.319 . . . . 0.0 111.058 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -90.61 -4.1 70.64 Favored Glycine 0 CA--C 1.519 0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.767 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -105.57 -178.49 3.67 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.856 0.36 . . . . 0.0 110.795 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 67.0 p -120.15 117.84 28.97 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.884 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.76 HG21 HD11 ' A' ' 133' ' ' ILE . 17.2 mm -116.29 145.08 22.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.014 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 130' ' ' GLU . 0.2 OUTLIER -83.44 173.67 11.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.442 ' H ' HG22 ' A' ' 129' ' ' THR . 2.9 mm-40 -81.43 -31.99 32.88 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.922 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.41 -49.75 65.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.962 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -51.9 -37.9 54.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.163 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.76 HD11 HG21 ' A' ' 128' ' ' ILE . 29.3 mm -79.23 -40.07 21.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.305 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -53.57 -24.36 13.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.294 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -92.5 17.1 10.55 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.348 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.67 ' CD2' HD21 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -101.91 -30.18 11.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.844 0.354 . . . . 0.0 110.942 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.455 ' HE1' HD12 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -78.44 -43.1 28.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.92 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -59.17 -41.25 87.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.929 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.402 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -89.48 8.64 30.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.321 179.909 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -126.98 0.61 7.18 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.667 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -118.25 106.87 13.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.802 0.334 . . . . 0.0 110.861 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt -75.9 -39.01 57.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.608 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.9 p30 -86.69 -2.67 58.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.186 179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.7 p30 44.11 36.77 1.58 Allowed 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.723 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 19.6 p-10 -78.11 -36.47 47.96 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.921 0.391 . . . . 0.0 110.771 179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 133.0 -7.17 5.13 Favored Glycine 0 CA--C 1.521 0.41 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.968 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -141.21 151.73 44.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.755 0.312 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.455 HD12 ' HE1' ' A' ' 137' ' ' MET . 23.8 mt -108.37 133.19 54.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.232 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.416 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 3.5 p30 -104.34 -176.51 3.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.822 179.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.582 ' CE1' HD13 ' A' ' 154' ' ' LEU . 33.9 t80 -62.53 -43.08 99.69 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.019 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -57.45 -53.13 61.61 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.61 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.413 ' HB2' HG23 ' A' ' 148' ' ' ILE . 29.4 mt-10 -63.64 -50.18 70.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.399 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.675 ' CE2' HD12 ' A' ' 112' ' ' ILE . 0.1 OUTLIER -61.16 -25.81 67.27 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.244 -179.61 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.582 HD13 ' CE1' ' A' ' 150' ' ' TYR . 2.4 tp -59.26 -33.99 71.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 0.0 110.782 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -93.87 -33.85 13.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.727 179.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.878 ' O ' HG22 ' A' ' 160' ' ' VAL . 5.1 t80 -54.74 -22.85 15.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.646 ' HG3' HD21 ' A' ' 97' ' ' LEU . 0.9 OUTLIER -73.61 -71.35 0.32 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.056 179.435 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.71 75.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.879 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 115.83 84.34 1.13 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.881 -0.676 . . . . 0.0 112.29 -179.81 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.878 HG22 ' O ' ' A' ' 156' ' ' PHE . 10.8 t -106.41 44.89 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.865 0.364 . . . . 0.0 111.129 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.847 0.356 . . . . 0.0 111.159 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.577 HG12 ' O ' ' A' ' 82' ' ' VAL . 17.0 t 62.53 34.73 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.124 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.1 ttt180 -87.9 -66.58 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.853 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m -110.93 -48.52 3.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 3.3 mtp -129.75 155.18 46.34 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.906 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 47.3 mttt -95.27 -72.14 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -116.27 148.77 40.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -98.62 117.22 32.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.4 p -70.79 -177.11 1.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 1.5 mtpm? -125.5 118.18 25.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -63.26 -135.98 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.844 -0.694 . . . . 0.0 112.563 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -88.8 96.75 10.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 0.0 111.025 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.775 HG23 ' H ' ' A' ' 95' ' ' GLU . 11.0 t -112.98 -159.1 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.875 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.514 ' HG2' HD11 ' A' ' 154' ' ' LEU . 0.2 OUTLIER -70.18 -6.77 36.73 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.521 179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.775 ' H ' HG23 ' A' ' 93' ' ' THR . 0.1 OUTLIER -76.96 -26.95 54.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.768 0.318 . . . . 0.0 110.656 179.695 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -74.76 -24.43 58.69 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 94' ' ' GLU . 15.6 mt -56.3 -21.91 27.05 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.268 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 36.6 t -68.04 -45.79 72.95 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.822 0.344 . . . . 0.0 110.676 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -59.47 -43.25 93.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.822 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.9 mt -72.89 -27.59 61.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.959 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -62.13 -41.19 98.02 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 21.0 mtt-85 -59.25 -40.94 87.58 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.853 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 7.1 mmm -52.3 -29.37 23.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.925 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -77.75 -20.17 53.87 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.008 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -93.27 145.27 24.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.722 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.503 ' HG3' HD12 ' A' ' 119' ' ' ILE . 3.0 mmpt? -99.65 -34.33 10.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.106 -179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -115.08 16.35 17.04 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.501 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.69 72.78 0.18 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-O 120.75 0.31 . . . . 0.0 111.574 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -115.03 -14.2 11.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.414 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.25 -15.71 60.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.616 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 20.6 m-85 -130.41 139.38 50.61 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.766 0.317 . . . . 0.0 110.651 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.9 mt -108.66 133.14 54.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.065 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -107.68 -177.4 3.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.77 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 2.9 mp -65.07 -30.94 71.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.08 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -69.33 -60.38 2.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.107 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -56.96 -48.53 78.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.574 ' O ' HD12 ' A' ' 121' ' ' LEU . 14.0 tp -54.71 -28.26 46.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.958 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -76.88 -30.54 56.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.955 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.503 HD12 ' HG3' ' A' ' 106' ' ' LYS . 46.3 mt -70.17 -53.1 24.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.052 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 5.6 ttp -56.41 -36.49 69.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.972 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.629 HD13 HG12 ' A' ' 133' ' ' ILE . 3.7 mt -74.62 -36.82 62.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.881 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -68.64 -30.02 68.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.682 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.61 -27.04 68.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 17.6 p -64.43 177.73 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.897 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -106.36 4.55 37.8 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.836 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -93.28 -178.88 4.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.849 0.357 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 40.9 p -113.48 114.99 27.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.93 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.6 mp -126.54 133.52 68.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.143 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.661 HG23 ' H ' ' A' ' 132' ' ' ASP . 3.3 t -83.07 174.61 10.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.891 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -76.68 -34.12 58.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.978 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -49.76 72.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.932 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.661 ' H ' HG23 ' A' ' 129' ' ' THR . 5.4 t70 -56.21 -39.21 72.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.629 HG12 HD13 ' A' ' 121' ' ' LEU . 24.6 mt -71.72 -45.31 66.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.255 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -58.58 -50.4 73.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -63.53 -28.57 70.04 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.032 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.6 -32.16 73.12 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.828 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.82 -36.77 84.41 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.952 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -70.93 -28.07 64.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -77.97 -4.44 46.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.424 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.443 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.05 -26.45 1.69 Allowed Glycine 0 C--N 1.331 0.28 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.563 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -86.86 95.29 9.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.891 0.377 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 11.7 mmmt -68.7 -26.14 65.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -102.16 3.46 38.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.419 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 6.6 t30 46.76 37.55 4.85 Favored 'General case' 0 C--N 1.334 -0.106 0 CA-C-O 120.771 0.319 . . . . 0.0 111.449 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -81.08 -1.39 44.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.365 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.75 -16.11 58.96 Favored Glycine 0 C--N 1.331 0.299 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.783 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.7 mtt180 -133.85 145.73 49.96 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.843 0.354 . . . . 0.0 110.94 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.72 HG23 ' HB2' ' A' ' 152' ' ' GLU . 19.8 mt -109.27 129.49 63.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.226 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.439 ' HB3' ' CE2' ' A' ' 111' ' ' TYR . 56.0 p-10 -103.83 -178.72 3.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.66 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -59.05 -21.1 58.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.317 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.37 -53.15 6.56 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.029 0.442 . . . . 0.0 110.336 179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.72 ' HB2' HG23 ' A' ' 148' ' ' ILE . 8.7 mt-10 -67.57 -35.9 79.89 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.954 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -74.28 -24.79 59.31 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.18 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.514 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -56.35 -36.41 68.75 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.982 0.42 . . . . 0.0 110.785 179.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.54 -23.62 56.64 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.998 179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.443 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -68.59 -7.47 33.1 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.615 -179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.94 12.58 9.07 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.684 0.278 . . . . 0.0 110.984 179.67 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 34.6 tttm -80.67 21.93 0.62 Allowed 'General case' 0 CA--C 1.532 0.27 0 N-CA-C 112.049 0.388 . . . . 0.0 112.049 -179.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 118.97 -18.63 10.42 Favored Glycine 0 C--N 1.331 0.27 0 C-N-CA 120.461 -0.876 . . . . 0.0 113.2 179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 156' ' ' PHE . 33.2 m -49.26 -37.55 10.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.765 0.317 . . . . 0.0 111.391 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.888 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.839 0.352 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 17.1 t 69.86 -63.94 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.29 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.23 -71.59 0.08 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.058 -179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.82 -178.51 0.71 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.42 -172.97 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.888 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -79.19 -80.45 0.12 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.952 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -131.1 111.03 11.62 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.951 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.68 -164.31 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.906 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.427 ' O ' ' O ' ' A' ' 90' ' ' LYS . 0.3 OUTLIER -91.11 21.59 4.21 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.519 -179.797 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.427 ' O ' ' O ' ' A' ' 89' ' ' SER . 5.2 mmtp -51.89 -167.64 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.2 0 CA-C-O 121.057 0.456 . . . . 0.0 111.667 -179.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -84.1 166.85 42.93 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.807 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 10.8 mmtt -119.52 126.5 51.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.885 0.374 . . . . 0.0 110.945 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 99.9 m -110.96 -79.28 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.086 -179.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.91 -21.7 62.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.475 -0.33 . . . . 0.0 111.27 -179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.49 10.41 41.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.305 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.12 -28.23 12.44 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.779 0.323 . . . . 0.0 111.227 -179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.412 HD23 ' HA ' ' A' ' 97' ' ' LEU . 17.8 mt -69.64 -14.83 63.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.344 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 -51.89 19.55 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.89 0.376 . . . . 0.0 110.855 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -34.55 73.16 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.78 179.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.513 HD23 ' SD ' ' A' ' 103' ' ' MET . 0.8 OUTLIER -73.8 -20.48 60.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.015 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -74.2 -36.83 64.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.59 -0.277 . . . . 0.0 111.194 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.32 -50.94 71.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.398 -179.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.513 ' SD ' HD23 ' A' ' 100' ' ' LEU . 17.2 ptm -52.27 -42.87 64.05 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.938 0.399 . . . . 0.0 110.75 -179.808 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -58.87 -29.61 67.11 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.679 179.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -87.17 143.72 27.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.659 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.529 ' HE3' HG21 ' A' ' 119' ' ' ILE . 1.7 tppt? -107.93 -46.21 3.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.153 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.4 p-10 -88.44 8.29 28.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.66 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.45 73.17 0.16 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 120.777 0.322 . . . . 0.0 111.541 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -124.08 -4.62 7.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.652 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.4 -4.35 73.32 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.5 -0.857 . . . . 0.0 112.609 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -139.59 144.06 37.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 120.728 0.299 . . . . 0.0 110.524 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.452 HD13 ' HE2' ' A' ' 153' ' ' PHE . 2.5 mt -108.63 133.6 53.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.211 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -107.46 177.55 4.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.852 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -28.98 70.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.291 -179.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.9 mp0 -69.75 -61.78 1.64 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.103 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.28 -43.62 74.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.101 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.454 HD23 ' CG2' ' A' ' 133' ' ' ILE . 35.5 tp -57.28 -24.0 52.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.287 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.582 ' HA ' HD12 ' A' ' 121' ' ' LEU . 35.8 tttp -87.07 -27.32 23.22 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.243 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.529 HG21 ' HE3' ' A' ' 106' ' ' LYS . 35.7 mt -65.46 -55.08 21.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.19 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -49.93 -28.12 6.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.267 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.582 HD11 ' CD1' ' A' ' 133' ' ' ILE . 47.0 mt -66.27 -37.06 84.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.884 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -65.81 -29.26 69.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -73.73 -21.59 60.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.454 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 11.2 p -75.8 179.03 5.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.834 0.35 . . . . 0.0 110.883 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -108.2 3.03 33.14 Favored Glycine 0 CA--C 1.519 0.324 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.83 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -103.01 -177.62 3.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.842 0.354 . . . . 0.0 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 70.7 p -122.68 109.06 13.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.925 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.7 mm -108.35 144.1 17.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.974 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.633 HG23 ' H ' ' A' ' 132' ' ' ASP . 14.1 t -90.65 164.02 14.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.76 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -70.02 -34.52 73.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.261 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -59.31 -48.6 81.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.11 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.633 ' H ' HG23 ' A' ' 129' ' ' THR . 15.2 m-20 -57.04 -38.16 72.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.582 ' CD1' HD11 ' A' ' 121' ' ' LEU . 41.8 mm -74.23 -46.53 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.224 -179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -52.88 -40.49 63.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.899 0.38 . . . . 0.0 111.115 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -71.45 -27.97 63.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.965 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.401 HD22 HD21 ' A' ' 117' ' ' LEU . 0.1 OUTLIER -59.62 -31.06 69.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.002 -179.941 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -78.55 -44.03 25.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 5.6 ttpp -63.89 -29.56 70.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.944 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.414 ' O ' ' CE1' ' A' ' 156' ' ' PHE . 5.2 t0 -92.36 -1.29 57.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.521 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.29 1.27 9.66 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.777 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -117.42 108.21 15.27 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.96 0.41 . . . . 0.0 111.032 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.1 mppt? -85.69 -34.85 21.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.89 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 29.9 p30 -83.72 -6.87 59.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 57.83 24.14 10.48 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.414 179.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.1 p-10 -65.82 -37.82 87.28 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.98 0.419 . . . . 0.0 110.677 179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 120.4 4.46 10.93 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.965 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 16.4 mtt180 -144.0 157.76 44.13 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.813 0.34 . . . . 0.0 110.83 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 153' ' ' PHE . 52.5 mt -108.91 126.6 65.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.186 -179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.458 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.8 p30 -103.68 170.63 7.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.671 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -65.62 -20.51 66.34 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.345 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.74 -58.87 3.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.812 0.339 . . . . 0.0 111.075 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.445 ' HG3' HG23 ' A' ' 148' ' ' ILE . 10.0 pt-20 -69.22 -34.97 75.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.665 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -61.09 -29.3 69.67 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.745 0.307 . . . . 0.0 110.941 -179.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.65 -35.76 70.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.986 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -92.89 -35.51 13.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.414 ' CE1' ' O ' ' A' ' 139' ' ' ASP . 46.0 t80 -68.54 -45.67 71.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.934 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.0 -2.14 38.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.446 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.93 50.76 0.96 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 121.195 0.522 . . . . 0.0 109.791 179.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 115.84 123.91 3.65 Favored Glycine 0 N--CA 1.448 -0.543 0 N-CA-C 111.135 -0.786 . . . . 0.0 111.135 -178.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -133.7 54.31 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.006 0.431 . . . . 0.0 111.127 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.944 179.955 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.401 ' C ' HG22 ' A' ' 82' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.79 0.329 . . . . 0.0 111.153 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.401 HG22 ' C ' ' A' ' 81' ' ' MET . 15.6 m 42.04 63.53 0.16 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.194 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.838 179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -147.67 30.61 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.737 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m -168.57 86.7 0.19 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.773 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 33.0 mtp -112.8 -61.36 1.74 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.89 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 2.0 mttm -165.49 31.56 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.796 179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.74 81.63 8.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.834 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -132.29 119.01 20.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.823 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.9 t -54.27 100.14 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.081 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -119.11 92.93 3.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -60.67 161.46 22.65 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.311 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 96' ' ' GLU . 5.9 mttp -117.2 31.3 6.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.116 0.484 . . . . 0.0 111.004 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 94' ' ' GLU . 7.7 t -116.77 -50.97 2.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.452 -179.266 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.5 ' N ' HG23 ' A' ' 93' ' ' THR . 11.6 mt-10 -85.96 -31.73 21.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.541 -179.099 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -90.89 -22.12 21.07 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.834 0.35 . . . . 0.0 110.783 179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 92' ' ' LYS . 5.3 mm-40 -79.02 -26.1 43.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.993 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 94' ' ' GLU . 5.4 mt -54.41 -24.04 18.29 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.114 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 m -67.44 -41.79 84.17 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.763 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.64 -40.08 86.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.69 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.3 mt -75.23 -31.11 60.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.85 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.416 ' CD2' ' HB2' ' A' ' 150' ' ' TYR . 14.7 t80 -57.72 -50.6 72.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.982 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -56.88 -41.8 78.67 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.873 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.5 mtt -54.85 -27.2 40.58 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.509 ' HB3' HD13 ' A' ' 112' ' ' ILE . 0.8 OUTLIER -84.23 -24.51 30.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -92.24 149.3 21.54 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.771 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.669 ' HG3' HD12 ' A' ' 119' ' ' ILE . 4.8 mmtm -116.21 -45.18 2.85 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.205 -179.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -80.4 0.08 34.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.772 -179.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.93 71.04 0.31 Allowed 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.927 0.394 . . . . 0.0 111.628 179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 16.1 p-10 -123.16 -30.52 3.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.117 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 122.17 -3.45 10.55 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.537 -179.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.408 ' HB3' ' HB3' ' A' ' 147' ' ' ARG . 38.7 m-85 -137.84 147.51 44.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.699 0.285 . . . . 0.0 110.541 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.509 HD13 ' HB3' ' A' ' 104' ' ' PHE . 18.9 mt -108.66 135.64 46.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.345 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -108.39 176.89 4.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.735 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.775 ' HA ' HD12 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -63.55 -28.47 69.96 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.183 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.2 mt-10 -65.48 -57.42 8.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.094 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -53.98 -40.2 66.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.184 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.775 HD12 ' HA ' ' A' ' 114' ' ' LEU . 48.1 mt -54.42 -29.29 48.64 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.241 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.0 ttpm? -89.66 -5.76 56.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.513 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.669 HD12 ' HG3' ' A' ' 106' ' ' LYS . 26.2 mt -91.0 -67.44 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.182 0 CA-C-O 120.614 0.245 . . . . 0.0 111.427 -179.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.651 ' HE2' ' HB2' ' A' ' 121' ' ' LEU . 0.0 OUTLIER -57.92 -21.44 43.63 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.032 -179.776 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.752 HD11 ' CG2' ' A' ' 128' ' ' ILE . 5.9 tt -69.39 -30.48 68.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.579 179.597 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 9.4 mt-30 -69.46 -28.05 65.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.81 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -75.68 -9.15 58.34 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.651 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 51.6 p -65.3 -174.68 0.19 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.845 0.355 . . . . 0.0 111.003 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -103.53 -17.55 17.0 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.712 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.618 ' HG3' HD11 ' A' ' 128' ' ' ILE . 4.9 pt-20 -105.82 -176.58 3.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.721 0.296 . . . . 0.0 110.862 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -109.99 128.73 55.57 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.835 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.752 ' CG2' HD11 ' A' ' 121' ' ' LEU . 5.1 mp -133.14 131.98 58.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.035 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 13.0 t -84.21 169.59 14.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.782 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -63.57 -23.32 67.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.104 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -62.69 -55.76 23.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.924 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -54.89 -33.95 62.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.162 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.646 HG23 ' HB3' ' A' ' 117' ' ' LEU . 35.6 mt -64.37 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.136 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -46.65 89.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.955 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.32 -30.58 68.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.26 -32.91 70.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.504 ' CE ' HD11 ' A' ' 117' ' ' LEU . 0.4 OUTLIER -77.4 -43.08 33.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.064 -179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -62.68 -25.59 68.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.165 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -100.2 0.29 40.15 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 111.871 0.323 . . . . 0.0 111.871 -179.57 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.418 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.86 -27.97 1.47 Allowed Glycine 0 C--N 1.332 0.331 0 C-N-CA 120.464 -0.874 . . . . 0.0 112.846 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.2 97.66 11.13 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.949 0.404 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.93 -31.34 23.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.831 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -83.64 -8.1 59.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 179.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 58.85 25.87 14.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.445 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 29.9 p-10 -78.12 -3.15 40.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.669 -0.242 . . . . 0.0 111.381 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 88.21 -9.09 76.43 Favored Glycine 0 C--N 1.332 0.306 0 C-N-CA 120.608 -0.805 . . . . 0.0 113.007 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.408 ' HB3' ' HB3' ' A' ' 111' ' ' TYR . 8.2 mmt85 -133.55 155.7 49.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.848 0.356 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 56.1 mt -108.53 123.84 64.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.184 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.405 ' OD2' ' CZ ' ' A' ' 111' ' ' TYR . 7.0 t70 -103.61 168.37 9.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.861 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.444 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 31.5 t80 -57.36 -41.8 80.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.017 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.81 -52.99 63.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.055 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -67.18 -40.84 86.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.263 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.81 -27.01 67.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.504 -179.54 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.444 ' HG ' ' O ' ' A' ' 150' ' ' TYR . 13.1 mt -53.69 -37.14 62.93 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.852 0.358 . . . . 0.0 110.874 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.405 ' HA ' ' HB2' ' A' ' 158' ' ' LYS . 0.4 OUTLIER -80.09 -28.03 39.15 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.096 -179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.419 ' O ' HG22 ' A' ' 160' ' ' VAL . 0.2 OUTLIER -58.7 -54.18 50.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.158 -179.831 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -85.56 2.48 44.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.747 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . 0.405 ' HB2' ' HA ' ' A' ' 155' ' ' GLU . 0.0 OUTLIER -99.52 38.63 1.4 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.15 0.5 . . . . 0.0 109.949 179.321 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 116.43 122.87 3.44 Favored Glycine 0 N--CA 1.448 -0.552 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 -178.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -133.34 45.15 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.98 0.419 . . . . 0.0 111.194 -179.207 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.914 179.941 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 27.5 mtm . . . . . 0 N--CA 1.486 1.355 0 CA-C-O 120.857 0.36 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.4 t 63.67 91.98 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 60.24 167.85 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.5 m -132.03 170.86 14.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -76.19 -51.62 11.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.944 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 77.5 mttt -132.37 111.73 11.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -90.7 -18.98 24.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.129 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.88 131.25 50.3 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.947 0.403 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 3.9 m -125.78 120.02 29.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 21.0 mtpt -57.74 165.67 1.63 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -121.66 -81.54 0.61 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.669 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -80.38 85.29 5.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.832 0.349 . . . . 0.0 110.974 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.735 HG23 ' H ' ' A' ' 95' ' ' GLU . 11.9 t -112.8 -156.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.718 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.498 ' HG2' HD11 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -69.59 -8.3 46.21 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.682 -0.236 . . . . 0.0 111.618 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.735 ' H ' HG23 ' A' ' 93' ' ' THR . 0.0 OUTLIER -78.74 -30.79 46.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.876 0.369 . . . . 0.0 110.687 179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.34 -21.67 55.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.087 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 22.4 mt -56.41 -21.69 26.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.318 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 150' ' ' TYR . 70.9 p -69.84 -39.0 76.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.783 0.325 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -59.73 -42.44 93.13 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.0 -22.15 64.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.019 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 69.0 t80 -63.95 -50.13 69.85 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.993 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.59 -33.26 68.01 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.904 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.4 mtt -57.47 -30.15 64.83 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.07 -8.7 59.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.299 179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -99.9 140.69 33.76 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.8 0.333 . . . . 0.0 110.806 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.73 -36.75 6.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.278 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.7 p30 -99.64 8.37 44.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.537 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 45.4 71.02 0.3 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.784 0.326 . . . . 0.0 111.5 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 33.6 p-10 -120.07 -7.16 9.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.476 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 92.89 -15.65 62.24 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.515 -179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -128.89 144.61 51.23 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.74 0.305 . . . . 0.0 110.754 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 3.5 mt -108.74 131.62 58.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.116 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -109.12 174.57 5.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.789 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.617 HD13 HD21 ' A' ' 117' ' ' LEU . 4.3 mm? -67.96 -30.84 70.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.081 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 -74.04 -32.22 63.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.427 -0.352 . . . . 0.0 111.092 -179.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -69.31 -65.19 0.74 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.921 0.391 . . . . 0.0 110.562 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.761 HD12 ' N ' ' A' ' 118' ' ' LYS . 4.1 pp -49.39 -27.04 3.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.761 ' N ' HD12 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -66.42 -15.16 63.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.195 179.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.463 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 26.2 mt -90.38 -49.92 13.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 0.0 111.468 -179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.597 ' O ' HG22 ' A' ' 124' ' ' THR . 0.3 OUTLIER -59.78 -31.96 70.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.919 -179.212 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 122' ' ' GLN . 4.2 pp -82.74 -41.43 19.25 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.687 0.254 . . . . 0.0 111.687 -179.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.652 ' N ' HD12 ' A' ' 121' ' ' LEU . 20.5 pt20 -64.58 -45.72 85.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.857 0.36 . . . . 0.0 110.856 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.427 ' N ' ' HG3' ' A' ' 122' ' ' GLN . . . -56.81 -22.36 35.75 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.214 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.597 HG22 ' O ' ' A' ' 120' ' ' MET . 9.5 t -119.91 107.36 13.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.95 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -92.13 26.95 11.17 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.612 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -122.25 -11.0 8.45 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 11.2 p -111.13 -164.18 0.9 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.725 0.298 . . . . 0.0 111.087 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.586 ' HB ' HD11 ' A' ' 133' ' ' ILE . 3.2 mp -49.69 129.77 7.37 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.915 -179.602 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 1.3 m -79.07 165.79 23.0 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.074 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.13 -23.74 8.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.685 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -61.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.877 0.37 . . . . 0.0 111.178 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.409 ' CB ' ' CG2' ' A' ' 128' ' ' ILE . 0.7 OUTLIER -59.64 -34.63 73.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.602 -179.513 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.647 ' CG2' HD13 ' A' ' 117' ' ' LEU . 44.8 mm -67.1 -57.29 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.707 0.289 . . . . 0.0 111.395 -179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -48.25 -29.42 3.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.21 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -80.29 -30.27 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.82 -30.53 70.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.578 ' HG2' HD21 ' A' ' 114' ' ' LEU . 4.6 tpt -57.76 -49.12 77.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -59.35 -26.28 64.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.146 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 77.1 m-20 -99.21 11.05 40.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.502 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . . . . . . . . . . . -123.42 -34.76 0.74 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.38 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.57 99.57 5.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.9 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 17.8 mmmt -80.59 -36.07 33.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.962 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -84.53 -6.4 59.37 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.165 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 48.83 27.81 1.71 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.827 0.346 . . . . 0.0 111.63 179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 23.9 p-10 -73.81 -36.06 64.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.495 179.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 138.86 -9.59 3.36 Favored Glycine 0 CA--C 1.518 0.253 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.814 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.7 mtt85 -141.83 161.87 36.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.755 0.312 . . . . 0.0 110.694 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.603 HG23 ' HG3' ' A' ' 152' ' ' GLU . 24.2 mt -108.14 126.28 64.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.938 0.399 . . . . 0.0 111.211 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 2.0 p30 -103.67 179.34 4.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.459 179.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.419 ' CZ ' ' HB3' ' A' ' 98' ' ' SER . 27.7 t80 -71.38 -19.42 62.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.284 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -70.35 -60.31 2.35 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.864 0.364 . . . . 0.0 111.018 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.603 ' HG3' HG23 ' A' ' 148' ' ' ILE . 6.0 pt-20 -67.93 -36.96 81.04 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.814 -179.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -59.81 -25.51 65.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.715 0.293 . . . . 0.0 110.89 -179.773 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.498 HD11 ' HG2' ' A' ' 94' ' ' GLU . 0.1 OUTLIER -57.98 -33.23 68.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.92 0.39 . . . . 0.0 110.81 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -81.27 -30.95 33.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.74 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.676 ' O ' HG22 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -51.34 -26.13 7.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.863 179.754 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 159' ' ' GLY . 0.0 OUTLIER -83.68 -73.98 0.39 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.384 179.601 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.25 66.84 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.406 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 116.76 86.25 1.21 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 121.13 -0.557 . . . . 0.0 112.253 -179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.676 HG22 ' O ' ' A' ' 156' ' ' PHE . 3.2 t -91.37 -60.14 2.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.851 0.357 . . . . 0.0 111.116 -179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 17.2 mt-10 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.916 -179.885 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.482 ' HG3' HG23 ' A' ' 82' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.811 0.339 . . . . 0.0 111.306 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.482 HG23 ' HG3' ' A' ' 81' ' ' MET . 21.5 t -132.4 147.99 31.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.102 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 -173.35 140.58 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 60.5 165.32 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.95 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.58 31.62 4.52 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 68.65 -69.0 0.16 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.978 179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.99 -163.02 1.18 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.979 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -128.19 134.48 49.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.79 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.95 86.15 2.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.994 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.67 -167.02 1.73 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.794 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -107.02 -111.38 3.56 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.789 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.8 ttpp -65.13 94.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.791 0.329 . . . . 0.0 111.153 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.495 HG22 ' N ' ' A' ' 94' ' ' GLU . 58.4 m -110.62 -97.36 0.41 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.676 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.495 ' N ' HG22 ' A' ' 93' ' ' THR . 9.7 mt-10 -107.12 -69.6 0.83 Allowed 'General case' 0 C--N 1.333 -0.11 0 CA-C-O 120.824 0.345 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -42.88 -27.86 0.21 Allowed 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.465 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -50.86 -26.25 5.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.107 179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 5.2 mt -91.56 -15.81 28.12 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.16 179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.411 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 7.6 t -75.26 -23.72 57.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.76 -44.15 69.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.108 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.679 HD13 ' N ' ' A' ' 100' ' ' LEU . 0.1 OUTLIER -71.34 -12.81 61.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.55 -179.822 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CE2' ' HB2' ' A' ' 150' ' ' TYR . 10.2 t80 -69.62 -47.82 62.11 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.691 0.282 . . . . 0.0 111.076 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.1 -31.35 72.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.832 0.349 . . . . 0.0 110.888 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.5 mmt -59.83 -36.66 77.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.838 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -74.76 -16.08 60.74 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.239 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -91.78 145.72 24.34 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.537 -0.302 . . . . 0.0 110.788 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -110.29 -36.32 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.084 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 19.5 p-10 -100.97 4.19 42.27 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.435 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 48.62 59.94 4.02 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 120.859 0.362 . . . . 0.0 111.228 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -105.82 -8.14 17.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.428 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.67 -16.29 59.86 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.783 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 -129.71 157.38 42.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.788 0.328 . . . . 0.0 110.77 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 16.0 mt -118.39 138.66 48.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 19.0 p-10 -115.92 -176.07 2.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.819 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 13.3 mt -74.35 -24.78 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.251 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -73.44 -37.68 65.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.296 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.744 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -82.19 -46.81 13.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.936 0.398 . . . . 0.0 111.151 -179.836 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 26.7 tp -50.84 -26.0 5.21 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.544 -179.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.05 -27.19 30.47 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.319 -179.725 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.744 HD12 ' HA ' ' A' ' 116' ' ' GLU . 39.7 mt -69.24 -55.04 16.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.889 0.376 . . . . 0.0 111.264 -179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 1.3 ptm -58.92 -20.3 50.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.377 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.653 HD22 HG13 ' A' ' 128' ' ' ILE . 17.0 mt -83.95 -43.32 15.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.363 -179.638 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -64.29 -41.99 96.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.011 0.434 . . . . 0.0 110.719 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -54.48 -30.24 52.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.394 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 14.2 p -57.14 -170.33 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.919 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -97.84 -15.18 37.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.765 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -101.64 -179.89 4.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -120.95 116.76 25.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.816 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.653 HG13 HD22 ' A' ' 121' ' ' LEU . 23.6 mm -104.6 142.75 17.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.199 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 16.9 p -82.67 -176.2 6.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.715 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.475 ' HA ' HD12 ' A' ' 133' ' ' ILE . 47.8 mt-10 -79.7 -43.56 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -55.11 -43.21 73.84 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.031 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.3 -35.03 73.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.475 HD12 ' HA ' ' A' ' 130' ' ' GLU . 23.8 mt -74.07 -59.17 3.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.039 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -57.03 -31.47 65.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.916 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.3 -31.79 72.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.771 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -63.06 -46.53 87.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.858 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.847 ' HA ' HD11 ' A' ' 148' ' ' ILE . 0.0 OUTLIER -57.51 -48.36 79.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.922 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt -54.43 -24.88 21.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.184 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.437 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.5 OUTLIER -96.28 -12.95 23.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.48 -179.815 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.467 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.39 13.8 8.84 Favored Glycine 0 C--N 1.332 0.354 0 C-N-CA 120.558 -0.83 . . . . 0.0 112.794 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -114.66 90.61 3.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.822 0.344 . . . . 0.0 110.813 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 8.6 mmtm -82.57 -39.61 22.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.15 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.9 p30 -86.76 -7.51 58.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.631 -179.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 8.2 m120 44.59 42.33 5.6 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-O 120.718 0.294 . . . . 0.0 111.469 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 17.5 p30 -85.04 3.67 37.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.48 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 99.83 -6.94 58.88 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.558 -0.829 . . . . 0.0 112.706 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.8 mtm180 -153.25 166.92 31.03 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.747 0.308 . . . . 0.0 110.715 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.894 HG21 ' CD1' ' A' ' 153' ' ' PHE . 90.6 mt -108.22 128.44 63.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.957 0.408 . . . . 0.0 111.293 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 9.4 p30 -104.15 173.38 6.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.906 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.501 ' O ' HD23 ' A' ' 154' ' ' LEU . 25.7 t80 -57.88 -28.24 64.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.385 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.412 ' O ' ' HG ' ' A' ' 154' ' ' LEU . 0.7 OUTLIER -68.22 -58.54 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.679 -179.374 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.763 ' HG3' HG23 ' A' ' 148' ' ' ILE . 9.6 pt-20 -76.16 -17.35 59.6 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 -178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.894 ' CD1' HG21 ' A' ' 148' ' ' ILE . 0.3 OUTLIER -89.57 -37.47 14.67 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.765 -179.312 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.699 HD12 ' N ' ' A' ' 155' ' ' GLU . 3.7 pp -57.3 -44.43 84.08 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-O 120.913 0.387 . . . . 0.0 110.619 179.778 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.699 ' N ' HD12 ' A' ' 154' ' ' LEU . 3.8 mt-10 -63.87 -28.43 69.84 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.487 179.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.467 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -52.94 -38.29 61.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.12 179.861 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 3.5 mtm -99.09 -0.2 42.29 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.57 -179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.03 45.36 1.0 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.104 0.478 . . . . 0.0 110.068 179.46 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 105.42 119.76 4.63 Favored Glycine 0 N--CA 1.449 -0.449 0 N-CA-C 111.417 -0.673 . . . . 0.0 111.417 -179.033 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -133.25 39.92 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 120.874 0.368 . . . . 0.0 110.999 -179.259 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.957 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.361 0 CA-C-O 120.804 0.335 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 14.1 p -92.6 -35.42 6.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.169 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -92.3 174.28 7.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.3 m 64.38 -78.74 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.0 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 5.5 mmt -82.04 123.09 28.62 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.5 tttt -164.37 168.48 18.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.946 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.13 159.39 14.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -106.56 135.27 48.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 5.3 m -96.75 25.91 4.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.248 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.0 mtmt -89.98 109.6 20.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.906 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -82.85 -95.13 0.56 Allowed Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.639 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -65.29 115.91 6.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.75 0.309 . . . . 0.0 110.935 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.461 HG22 ' H ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -114.74 -172.79 2.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.019 -179.821 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.461 ' H ' HG22 ' A' ' 93' ' ' THR . 2.4 mt-10 -85.0 1.28 48.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.144 179.591 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -99.85 -36.01 9.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.966 -179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.51 -33.64 70.05 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.081 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 3.4 mt -62.28 -25.3 67.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.05 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.26 -38.67 68.8 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -61.92 -42.46 99.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.927 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 26.5 mt -67.38 -22.44 65.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.204 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.434 ' CD1' ' CD2' ' A' ' 153' ' ' PHE . 1.9 t80 -62.59 -45.77 91.37 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.818 0.342 . . . . 0.0 111.061 -179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 2.6 mtt-85 -62.33 -31.73 72.39 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.1 -35.26 74.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.409 ' HB3' ' CD1' ' A' ' 112' ' ' ILE . 5.6 m-85 -76.31 -18.32 59.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.185 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -87.64 142.32 27.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.799 0.333 . . . . 0.0 110.727 179.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -102.92 -40.98 6.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.069 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -104.33 11.42 34.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.38 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.25 56.23 8.13 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.908 0.385 . . . . 0.0 111.323 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -96.55 -8.67 31.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.409 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 93.13 -11.9 70.97 Favored Glycine 0 CA--C 1.519 0.33 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.646 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -138.27 151.72 47.88 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.756 0.313 . . . . 0.0 110.771 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 104' ' ' PHE . 17.4 mt -108.69 132.98 55.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.139 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 3.4 p-10 -107.93 170.85 7.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.924 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 4.2 mp -62.45 -31.56 72.3 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.953 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -73.78 -47.48 38.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.969 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.89 -55.44 26.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 30.9 tp -51.53 -27.89 12.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.21 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.791 ' HG3' HD13 ' A' ' 133' ' ' ILE . 0.1 OUTLIER -74.3 -27.58 60.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.987 179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.405 ' HA ' ' HG2' ' A' ' 122' ' ' GLN . 37.6 mt -62.91 -52.26 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.2 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.0 ttp -58.33 -27.8 64.48 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.34 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.757 HD22 HG12 ' A' ' 133' ' ' ILE . 1.5 mp -77.52 -45.9 24.03 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.564 -0.289 . . . . 0.0 111.22 -179.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . 0.405 ' HG2' ' HA ' ' A' ' 119' ' ' ILE . 12.4 pt20 -66.86 -44.03 82.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.07 0.462 . . . . 0.0 110.658 179.758 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -58.32 -28.61 65.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.168 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -82.2 156.95 24.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.898 0.38 . . . . 0.0 110.807 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -86.64 8.08 76.75 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.903 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -75.94 155.92 34.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.863 0.364 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -100.18 92.6 5.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.542 ' HB ' HD23 ' A' ' 121' ' ' LEU . 26.9 mt -127.4 132.25 69.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.132 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . . . . . . . . . 11.0 t -84.31 168.99 15.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.754 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . 0.807 ' HA ' HD12 ' A' ' 133' ' ' ILE . 0.4 OUTLIER -61.75 -35.31 77.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.112 -179.943 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -55.67 -44.12 76.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.051 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.423 ' HB2' HG22 ' A' ' 128' ' ' ILE . 9.1 m-20 -60.62 -33.27 72.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.815 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 130' ' ' GLU . 19.5 mt -71.82 -48.68 49.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.155 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -60.07 -51.98 67.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.012 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.11 -28.8 64.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.998 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.46 -35.85 81.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.847 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -46.89 43.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.822 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.22 -26.31 62.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.45 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.4 OUTLIER -82.34 -15.62 52.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.219 -179.985 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.439 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.57 12.09 8.92 Favored Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.698 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -117.92 91.85 3.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 0.0 110.8 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 12.5 mmmt -79.32 -33.07 43.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.983 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 30.1 p30 -87.36 -3.1 59.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.399 -179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 29.1 m-20 47.3 29.15 1.18 Allowed 'General case' 0 C--N 1.333 -0.139 0 CA-C-O 120.827 0.346 . . . . 0.0 111.485 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -72.92 -35.57 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.717 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 125.31 -5.39 8.2 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.846 -0.692 . . . . 0.0 112.848 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 9.3 mtt85 -142.8 153.26 43.07 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.812 0.339 . . . . 0.0 110.765 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.681 HG23 ' HB2' ' A' ' 152' ' ' GLU . 46.1 mt -108.96 129.66 63.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.227 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . . . . . . . . . 15.3 p-10 -103.72 179.3 4.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.589 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.633 ' O ' HD23 ' A' ' 154' ' ' LEU . 15.6 t80 -56.07 -25.33 44.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.215 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.77 -54.24 7.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.136 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.681 ' HB2' HG23 ' A' ' 148' ' ' ILE . 0.8 OUTLIER -76.7 -23.44 53.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.371 -179.62 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.507 ' HB2' HG22 ' A' ' 148' ' ' ILE . 1.8 t80 -80.98 -43.47 19.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.243 -179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.751 HD12 ' N ' ' A' ' 155' ' ' GLU . 3.1 pp -61.37 -42.75 99.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.997 0.427 . . . . 0.0 110.648 179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . 0.751 ' N ' HD12 ' A' ' 154' ' ' LEU . 0.3 OUTLIER -60.93 -34.35 74.56 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.584 179.68 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.45 ' CZ ' ' HB3' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -49.86 -25.51 3.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.684 -179.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.62 0.26 15.35 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.587 -0.279 . . . . 0.0 111.695 -179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp -100.19 37.25 1.69 Allowed 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 113.52 103.03 2.56 Favored Glycine 0 N--CA 1.447 -0.575 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 -178.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 1.4 t -91.74 -71.52 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 -178.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.8 0.333 . . . . 0.0 110.887 179.986 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 3.0 mmm . . . . . 0 N--CA 1.487 1.412 0 CA-C-O 120.807 0.337 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.592 HG12 ' O ' ' A' ' 82' ' ' VAL . 15.6 t 62.02 31.1 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.193 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 3.4 tpm_? -131.89 68.04 1.51 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.959 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -114.44 107.58 15.73 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.911 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -168.23 98.16 0.43 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.55 -167.44 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -73.28 83.0 1.38 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.053 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -115.33 167.12 11.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.684 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 1.5 p -125.0 -100.07 0.4 Allowed 'General case' 0 CA--C 1.533 0.29 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.974 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.609 ' O ' HG22 ' A' ' 93' ' ' THR . 0.0 OUTLIER -126.46 130.48 50.75 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-O 120.79 0.328 . . . . 0.0 110.965 -179.769 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -51.83 -32.83 34.28 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.613 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.1 mttm -115.91 59.6 0.72 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.05 0.452 . . . . 0.0 110.817 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.698 HG23 ' H ' ' A' ' 95' ' ' GLU . 12.1 t -113.09 -153.19 0.52 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.634 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.687 ' HA ' HD12 ' A' ' 97' ' ' LEU . 6.4 mt-10 -69.37 -6.86 32.63 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-O 120.653 0.263 . . . . 0.0 111.618 179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.698 ' H ' HG23 ' A' ' 93' ' ' THR . 1.7 mt-10 -87.23 -38.79 16.02 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.818 0.342 . . . . 0.0 110.585 179.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 97' ' ' LEU . 0.0 OUTLIER -64.51 -27.95 69.32 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.41 179.556 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.687 HD12 ' HA ' ' A' ' 94' ' ' GLU . 48.2 mt -58.72 -20.79 52.17 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.568 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 15.3 t -52.5 -43.25 64.95 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.066 0.46 . . . . 0.0 110.898 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -59.31 -38.07 79.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.946 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.628 HD12 HD23 ' A' ' 97' ' ' LEU . 33.2 mt -65.11 -32.25 73.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.92 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 61.8 t80 -59.76 -52.56 64.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.094 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 3.5 mtt180 -55.28 -39.71 70.17 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.999 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 1.4 mtt -55.93 -27.44 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.967 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -81.13 -20.78 40.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -88.8 134.64 33.87 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.834 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -103.35 -43.14 5.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 -95.68 11.57 32.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.467 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.17 71.27 0.31 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 120.795 0.331 . . . . 0.0 111.401 179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 19.4 p-10 -119.87 -4.07 10.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.414 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 88.18 -10.95 69.01 Favored Glycine 0 CA--C 1.519 0.316 0 C-N-CA 120.579 -0.82 . . . . 0.0 112.772 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 10.0 m-85 -134.08 151.71 51.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.767 0.318 . . . . 0.0 110.725 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 4.5 mt -108.59 118.51 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.136 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 9.6 p30 -107.71 174.64 5.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.834 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 5.1 mt -54.7 -42.21 71.21 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.228 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.87 -47.38 85.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.93 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.501 ' HA ' HD12 ' A' ' 119' ' ' ILE . 0.4 OUTLIER -61.27 -53.14 60.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.915 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.692 HD22 ' SD ' ' A' ' 137' ' ' MET . 14.1 tp -58.84 -31.03 68.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.995 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -62.63 -31.12 71.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.984 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.501 HD12 ' HA ' ' A' ' 116' ' ' GLU . 10.9 mt -76.66 -41.4 33.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.098 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 3.6 ttp -57.03 -45.84 82.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.062 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.719 HD12 HG13 ' A' ' 128' ' ' ILE . 4.4 mm? -67.67 -41.94 82.95 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.918 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 7.1 mm100 -65.16 -28.54 69.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.739 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -63.56 -26.15 68.56 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.248 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 16.0 p -68.55 -178.64 1.17 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.879 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -100.05 21.57 44.05 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.636 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -126.87 174.99 8.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.867 0.365 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 44.6 p -111.59 123.3 49.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.873 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.719 HG13 HD12 ' A' ' 121' ' ' LEU . 19.6 mm -120.74 155.3 24.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.045 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.405 ' N ' HG22 ' A' ' 128' ' ' ILE . 38.6 p -96.01 160.08 14.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.846 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.93 -20.6 59.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -66.76 -55.45 14.92 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -55.27 -43.83 75.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.012 -179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 29.8 mt -66.44 -28.29 42.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.071 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -68.42 -31.14 70.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -98.08 24.71 6.77 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.076 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -101.71 -38.04 8.06 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.725 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.692 ' SD ' HD22 ' A' ' 117' ' ' LEU . 38.2 mmm -72.43 -23.58 61.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.82 -33.91 73.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.787 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -91.68 12.31 21.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.279 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.436 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.36 -35.8 0.68 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.384 179.791 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -104.44 118.58 36.96 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.031 0.443 . . . . 0.0 111.007 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 7.5 mptt -78.75 -21.45 47.95 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.228 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 26.1 p-10 -89.4 1.97 55.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.535 -0.302 . . . . 0.0 111.292 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 9.4 t30 49.82 27.96 2.54 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.317 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 39.7 p30 -71.29 -25.6 62.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.011 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 103.38 1.0 47.26 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.82 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 31.6 mtt180 -137.51 149.76 47.02 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.766 0.317 . . . . 0.0 110.692 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . . . . . . . . . 34.4 mt -109.17 125.51 66.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.347 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 153' ' ' PHE . 6.2 p30 -103.62 178.83 4.44 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.693 179.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.508 ' CE1' HD21 ' A' ' 154' ' ' LEU . 7.6 t80 -61.49 -29.85 70.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 111.218 -179.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.95 -59.68 3.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.931 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -63.93 -29.99 71.12 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.165 -179.669 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.465 ' CE2' HD22 ' A' ' 154' ' ' LEU . 0.0 OUTLIER -59.57 -42.0 91.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.957 -179.881 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.508 HD21 ' CE1' ' A' ' 150' ' ' TYR . 1.6 mm? -51.44 -31.93 24.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.019 -179.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 -87.08 -38.07 16.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.244 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.436 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -52.02 -25.6 8.86 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.898 0.38 . . . . 0.0 110.8 179.838 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.621 ' SD ' HD22 ' A' ' 97' ' ' LEU . 9.7 mmt -79.51 -73.03 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.011 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 43.5 mttt -61.77 71.05 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.12 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.489 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 117.46 87.51 1.25 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.254 -179.852 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 156' ' ' PHE . 3.4 t -97.23 39.04 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.939 0.4 . . . . 0.0 111.085 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 6.3 mtt . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.815 0.341 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 25.4 t -111.16 139.12 36.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.1 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -171.49 -40.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.118 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.7 t -76.86 89.96 3.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.986 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 1.1 ttm -88.24 122.15 31.45 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 1.2 pttm -115.58 25.41 10.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 p30 -131.04 21.94 4.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.146 -179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.33 -66.28 0.91 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.767 0.318 . . . . 0.0 111.034 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.07 -40.86 70.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.123 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 6.1 mttt -61.06 84.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.983 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -93.18 -101.94 1.55 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.53 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.4 97.11 10.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.852 0.358 . . . . 0.0 110.931 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.07 -148.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.715 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.99 -5.24 12.03 Favored 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 111.678 0.251 . . . . 0.0 111.678 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -95.43 0.01 52.91 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.584 0.231 . . . . 0.0 111.321 179.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -97.28 -28.24 14.15 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.791 0.329 . . . . 0.0 110.794 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.517 HD21 ' HG2' ' A' ' 157' ' ' MET . 4.0 mt -56.84 -22.25 35.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.155 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 13.1 p -69.91 -31.52 69.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.87 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -58.64 -48.37 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.724 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 32.3 mt -73.79 -25.01 59.9 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.862 179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 150' ' ' TYR . 58.5 t80 -61.52 -54.17 46.73 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.95 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 35.2 mtt-85 -53.65 -39.95 65.46 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.885 0.374 . . . . 0.0 110.87 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 3.3 mmt -54.3 -25.87 26.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.682 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -85.13 -9.62 57.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.206 179.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.38 136.73 35.38 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.74 0.305 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.419 ' HB2' HD11 ' A' ' 119' ' ' ILE . 18.8 tptt -107.14 -41.76 5.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.056 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -101.16 5.63 42.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.556 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 44.32 80.51 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.673 0.273 . . . . 0.0 111.63 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 26.4 p-10 -127.57 -1.78 6.14 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.623 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 98.59 -14.78 61.72 Favored Glycine 0 C--N 1.331 0.275 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.443 -179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.406 ' CZ ' ' OD1' ' A' ' 149' ' ' ASP . 37.6 m-85 -133.49 154.03 51.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.746 0.307 . . . . 0.0 110.344 179.665 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.439 HD13 ' HE2' ' A' ' 153' ' ' PHE . 5.4 mt -108.69 140.81 25.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.167 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -117.9 176.77 5.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.655 HD23 HD11 ' A' ' 117' ' ' LEU . 38.8 mt -60.69 -36.4 78.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -63.58 -35.51 80.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.985 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.16 -60.44 2.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 121' ' ' LEU . 0.4 OUTLIER -60.87 -16.87 46.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.251 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.507 ' HD3' HD13 ' A' ' 133' ' ' ILE . 8.4 mmtm -76.78 -52.3 9.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.675 0.274 . . . . 0.0 111.359 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.419 HD11 ' HB2' ' A' ' 106' ' ' LYS . 17.9 pt -56.21 -42.58 73.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.528 -0.305 . . . . 0.0 111.511 -179.482 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.478 ' HE3' ' HG ' ' A' ' 121' ' ' LEU . 0.2 OUTLIER -69.33 -29.53 67.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.128 -179.67 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.79 HD13 HG12 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -74.37 -45.65 45.62 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.84 0.352 . . . . 0.0 110.962 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.01 -27.26 69.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.966 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -79.42 -5.82 55.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.701 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 121' ' ' LEU . 42.9 p -66.64 -173.5 0.23 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.877 0.37 . . . . 0.0 110.947 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -99.76 -10.75 45.8 Favored Glycine 0 CA--C 1.518 0.257 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.859 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -113.28 -178.38 3.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.922 0.391 . . . . 0.0 110.845 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . 0.422 ' O ' HD13 ' A' ' 128' ' ' ILE . 22.0 p -111.34 126.35 54.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.422 HD13 ' O ' ' A' ' 127' ' ' THR . 30.9 mm -121.15 143.74 32.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.084 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.594 HG23 ' H ' ' A' ' 132' ' ' ASP . 2.5 t -80.34 164.24 23.29 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.07 -31.6 69.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.104 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.24 -48.89 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.11 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.594 ' H ' HG23 ' A' ' 129' ' ' THR . 20.1 m-20 -59.25 -40.86 87.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.041 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.79 HG12 HD13 ' A' ' 121' ' ' LEU . 34.1 mt -69.26 -26.26 31.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.29 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -81.43 -28.72 34.12 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.394 -0.367 . . . . 0.0 111.057 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 21.3 mt-10 -68.06 -25.08 65.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.221 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 3.9 mp -57.44 -47.69 81.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.091 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.473 ' SD ' HD21 ' A' ' 117' ' ' LEU . 0.0 OUTLIER -61.94 -38.1 87.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.021 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 3.1 tmtt? -57.57 -41.62 81.45 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.225 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.411 ' O ' ' CZ ' ' A' ' 156' ' ' PHE . 0.1 OUTLIER -99.46 23.52 9.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.197 -179.783 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.429 ' CA ' ' CE2' ' A' ' 156' ' ' PHE . . . -132.61 -37.65 0.26 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.274 179.701 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.94 112.34 20.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.2 -36.71 15.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.99 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -82.79 -9.49 59.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.047 179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 20.1 t30 57.29 24.44 9.97 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.404 179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 45.0 p-10 -74.8 -16.22 60.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.712 0.292 . . . . 0.0 111.277 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 110.73 -3.08 28.99 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.012 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 5.7 mtm180 -143.75 155.82 44.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.801 0.334 . . . . 0.0 110.858 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.637 HG23 ' HG3' ' A' ' 152' ' ' GLU . 22.7 mt -108.72 133.45 53.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.226 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.555 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.3 t70 -103.82 178.7 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.584 179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.453 ' HA ' ' CE1' ' A' ' 101' ' ' PHE . 31.4 t80 -73.17 -19.98 60.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.384 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -56.74 5.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.837 0.351 . . . . 0.0 110.722 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.637 ' HG3' HG23 ' A' ' 148' ' ' ILE . 11.4 pt-20 -71.75 -40.63 69.21 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.946 -179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.555 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.1 OUTLIER -59.23 -23.31 62.21 Favored 'General case' 0 C--N 1.332 -0.168 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.062 -179.576 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 150' ' ' TYR . 0.2 OUTLIER -59.77 -30.35 68.81 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.719 179.784 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.74 -34.56 22.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.922 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.82 ' O ' HG22 ' A' ' 160' ' ' VAL . 0.1 OUTLIER -51.63 -26.43 8.96 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.845 179.823 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . 0.517 ' HG2' HD21 ' A' ' 97' ' ' LEU . 3.3 tpp -83.83 -72.74 0.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.558 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.98 67.27 0.02 OUTLIER 'General case' 0 N--CA 1.462 0.152 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.487 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 157' ' ' MET . . . 116.93 89.7 1.46 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 121.038 -0.601 . . . . 0.0 112.533 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.82 HG22 ' O ' ' A' ' 156' ' ' PHE . 3.1 t -101.67 46.7 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.94 0.4 . . . . 0.0 110.976 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.873 -179.909 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.924 0.392 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -99.53 125.03 53.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.6 ptt-85 -124.8 99.75 6.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.95 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 1.7 m -110.69 -60.7 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.858 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 14.8 tpp -149.6 56.59 0.98 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 3.9 mmtp 60.43 -176.02 0.11 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.939 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.16 -166.46 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.958 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -83.47 111.86 19.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.889 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 63.4 p -55.85 151.51 11.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 2.0 mptt -66.47 -176.57 0.47 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.2 -167.28 14.01 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.883 -0.675 . . . . 0.0 112.322 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.462 ' HA ' ' HG2' ' A' ' 96' ' ' GLU . 0.0 OUTLIER -118.8 30.49 7.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.128 0.49 . . . . 0.0 111.139 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.78 -63.08 1.5 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.61 -179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.02 -26.62 31.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.966 -178.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -99.52 5.67 46.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.588 0.232 . . . . 0.0 111.39 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.462 ' HG2' ' HA ' ' A' ' 92' ' ' LYS . 16.7 mm-40 -102.05 -29.53 11.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.792 0.329 . . . . 0.0 110.93 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . 0.494 ' CD1' HD13 ' A' ' 154' ' ' LEU . 22.3 mt -59.68 -20.39 55.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.003 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.4 -50.95 33.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.832 0.349 . . . . 0.0 110.604 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.62 -37.99 74.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.518 179.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 mt -78.16 -30.61 49.26 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.577 179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -58.85 -39.86 82.58 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.72 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 59.1 mtt85 -62.13 -42.53 99.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.745 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.6 mtt -55.12 -30.51 59.91 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . 0.46 ' HB3' HD13 ' A' ' 112' ' ' ILE . 3.3 m-85 -77.82 -27.49 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.679 179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -87.24 148.52 25.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.698 179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . 0.84 ' HD3' HG21 ' A' ' 119' ' ' ILE . 5.3 mmmt -116.17 -45.15 2.86 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.027 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -76.67 -2.09 31.03 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.789 -179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 49.65 63.28 2.23 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.913 0.387 . . . . 0.0 111.402 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -122.02 -27.77 4.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.174 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 117.8 0.28 17.57 Favored Glycine 0 CA--C 1.519 0.305 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.677 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -137.76 148.99 46.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.874 0.368 . . . . 0.0 110.645 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' A' ' 104' ' ' PHE . 17.4 mt -110.14 129.89 64.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.295 -179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.31 179.67 4.14 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.923 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.549 HD21 ' HA ' ' A' ' 134' ' ' GLU . 0.1 OUTLIER -63.38 -30.05 71.25 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.165 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 18.8 mm-40 -76.64 -26.96 55.45 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.198 -179.749 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -83.66 -57.45 3.22 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.932 0.396 . . . . 0.0 111.091 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.594 ' O ' HD13 ' A' ' 121' ' ' LEU . 36.7 tp -49.8 -27.37 4.92 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.394 -179.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 5.6 pttt -76.51 -21.62 55.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.259 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . 0.84 HG21 ' HD3' ' A' ' 106' ' ' LYS . 29.2 mm -66.07 -58.63 5.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.967 0.413 . . . . 0.0 111.176 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.48 ' CE ' HD12 ' A' ' 121' ' ' LEU . 4.8 ttp -54.31 -24.06 17.67 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.45 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.594 HD13 ' O ' ' A' ' 117' ' ' LEU . 8.9 mp -79.89 -45.2 19.04 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.14 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 5.1 pt20 -69.14 -43.69 73.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.977 0.418 . . . . 0.0 110.589 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -60.12 -31.01 69.66 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.043 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -76.54 166.76 22.95 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -87.99 10.77 69.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.848 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' A' ' 128' ' ' ILE . 1.7 mm-40 -89.39 164.44 14.87 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.825 0.345 . . . . 0.0 110.98 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 1.2 p -119.35 100.78 7.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.745 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.527 ' HB ' HD23 ' A' ' 121' ' ' LEU . 3.9 mp -121.87 143.16 35.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.189 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.443 HG23 ' H ' ' A' ' 132' ' ' ASP . 2.8 t -83.09 170.65 14.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.972 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -70.78 -30.89 67.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.774 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.8 -48.47 81.56 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.443 ' H ' HG23 ' A' ' 129' ' ' THR . 0.9 OUTLIER -57.25 -35.68 70.02 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.102 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.515 HG12 HD22 ' A' ' 121' ' ' LEU . 42.3 mt -66.58 -42.5 90.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.152 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . 0.549 ' HA ' HD21 ' A' ' 114' ' ' LEU . 0.1 OUTLIER -63.18 -50.9 68.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.899 -179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -63.0 -29.79 71.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -30.37 68.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.007 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . 0.537 ' SD ' HD22 ' A' ' 117' ' ' LEU . 37.3 mmm -82.49 -33.49 28.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.66 -24.75 67.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.038 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 156' ' ' PHE . 0.2 OUTLIER -96.88 1.76 50.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.597 -179.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.431 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -123.11 -29.85 1.17 Allowed Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.553 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -79.31 97.38 6.27 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.703 0.287 . . . . 0.0 110.934 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -80.96 -34.02 33.46 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.0 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -83.97 -4.88 59.05 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.181 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.7 m120 52.27 27.32 4.65 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.458 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -74.87 -34.86 62.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.042 0.449 . . . . 0.0 110.538 179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 127.94 -0.61 6.68 Favored Glycine 0 CA--C 1.518 0.269 0 C-N-CA 120.872 -0.68 . . . . 0.0 112.825 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -143.88 162.29 36.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.76 0.314 . . . . 0.0 110.923 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.496 HG21 ' CD2' ' A' ' 153' ' ' PHE . 50.2 mt -108.19 125.91 64.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.226 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.484 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.2 p30 -103.69 164.62 11.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.973 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.456 ' CE1' ' CD2' ' A' ' 154' ' ' LEU . 27.5 t80 -59.52 -20.97 59.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.295 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.81 -59.26 2.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.038 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -72.02 -30.67 65.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.58 -179.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.496 ' CD2' HG21 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -68.28 -35.34 77.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.984 0.421 . . . . 0.0 110.575 179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.494 HD13 ' CD1' ' A' ' 97' ' ' LEU . 0.1 OUTLIER -49.27 -38.91 28.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.921 179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -75.92 -28.1 57.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.081 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.438 ' CZ ' ' HB3' ' A' ' 139' ' ' ASP . 0.1 OUTLIER -58.54 -26.79 63.92 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.002 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.91 -1.35 14.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.644 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.93 37.62 1.6 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.242 0.544 . . . . 0.0 109.749 179.178 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 115.62 116.08 3.01 Favored Glycine 0 N--CA 1.448 -0.551 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -178.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -120.38 52.23 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 120.959 0.409 . . . . 0.0 111.121 -179.149 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.089 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . . . . . . . . . 1.5 mmt . . . . . 0 N--CA 1.485 1.291 0 CA-C-O 120.937 0.399 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.95 150.08 6.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.2 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 44.35 38.5 2.53 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.418 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -160.71 30.89 0.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.898 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.14 -63.12 1.15 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LYS . . . . . . . . . . . . . 9.2 tttt -81.58 85.83 6.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.63 148.25 25.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.66 104.47 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.138 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 39.1 p -77.66 -162.92 0.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.2 138.96 3.64 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.97 0.414 . . . . 0.0 111.295 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -118.04 -150.21 8.95 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.681 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.15 64.56 0.66 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.984 0.421 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.789 HG23 ' H ' ' A' ' 95' ' ' GLU . 12.3 t -112.74 -159.55 0.69 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.828 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.688 ' HG2' HD11 ' A' ' 154' ' ' LEU . 21.5 mt-10 -68.22 -9.38 46.7 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.588 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLU . . . . . 0.789 ' H ' HG23 ' A' ' 93' ' ' THR . 33.3 mt-10 -75.51 -31.94 60.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.702 179.824 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.03 -24.84 43.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 11.4 mt -62.94 -16.71 60.28 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.234 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.417 ' HB2' ' CZ ' ' A' ' 150' ' ' TYR . 15.2 t -60.76 -42.9 98.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.957 0.408 . . . . 0.0 110.996 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -59.51 -41.33 89.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 100' ' ' LEU . 1.6 mm? -61.81 -25.59 67.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.023 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' A' ' 150' ' ' TYR . 11.3 t80 -60.78 -44.2 97.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.021 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 10.6 mtt85 -57.68 -39.49 77.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.944 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 2.8 mtm -56.78 -29.81 63.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -80.18 -23.11 41.24 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.889 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -93.2 146.23 23.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.816 179.856 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.44 -40.9 4.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.044 -179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.1 p-10 -91.68 4.1 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.604 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ALA . . . . . . . . . . . . . . . 46.66 67.97 0.69 Allowed 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 120.853 0.359 . . . . 0.0 111.38 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 15.9 p-10 -119.98 -6.8 9.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.488 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 94.73 -13.8 66.51 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.546 -0.835 . . . . 0.0 112.543 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' TYR . . . . . 0.427 ' CE2' ' HB3' ' A' ' 149' ' ' ASP . 26.2 m-85 -133.85 144.28 48.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.686 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ILE . . . . . . . . . . . . . 6.6 mt -108.82 135.76 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.192 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -112.02 -178.86 3.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.7 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.461 HD13 HG22 ' A' ' 133' ' ' ILE . 0.3 OUTLIER -62.08 -29.99 70.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.113 -179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -65.22 -51.76 58.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.163 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -56.33 -48.14 77.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.02 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.505 ' O ' HD12 ' A' ' 121' ' ' LEU . 41.2 mt -53.5 -29.85 38.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.95 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 1.6 tttt -77.84 -22.64 49.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.955 179.726 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ILE . . . . . . . . . . . . . 41.4 mt -85.88 -57.9 3.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.091 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 19.8 ttp -52.76 -28.32 21.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.116 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 117' ' ' LEU . 60.0 mt -83.28 -27.95 29.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.95 -27.53 66.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -81.73 -7.92 59.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.644 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.406 HG23 ' HA ' ' A' ' 121' ' ' LEU . 30.0 p -74.73 -172.06 1.45 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.822 0.344 . . . . 0.0 110.978 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . -113.34 -5.91 22.47 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.925 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -100.4 178.39 4.76 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-O 120.841 0.353 . . . . 0.0 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' THR . . . . . . . . . . . . . 2.1 p -109.62 127.5 54.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.8 mp -133.04 128.73 56.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.042 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' THR . . . . . 0.542 HG23 ' H ' ' A' ' 132' ' ' ASP . 8.9 t -79.37 176.81 9.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.981 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -71.51 -31.55 67.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -64.65 -49.67 70.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ASP . . . . . 0.542 ' H ' HG23 ' A' ' 129' ' ' THR . 0.1 OUTLIER -53.6 -34.74 59.51 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.105 -179.812 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.461 HG22 HD13 ' A' ' 114' ' ' LEU . 37.1 mt -72.61 -40.14 61.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.119 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -64.29 -45.39 88.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.73 -29.83 67.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.091 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.22 -45.65 92.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.1 -34.46 72.03 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.929 -179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -27.71 65.53 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 76.5 m-20 -73.97 -10.02 59.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.382 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLY . . . . . 0.462 ' HA3' ' CE2' ' A' ' 156' ' ' PHE . . . -122.84 -23.18 2.31 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 120.577 -0.82 . . . . 0.0 112.832 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -82.25 88.14 6.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.801 0.334 . . . . 0.0 110.966 -179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LYS . . . . . . . . . . . . . 2.4 mmmp? -75.2 -31.84 61.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.719 179.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ASN . . . . . . . . . . . . . 18.0 p30 -89.68 -5.93 56.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.132 179.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' ASN . . . . . . . . . . . . . 3.0 m120 52.2 37.11 21.03 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.638 0.256 . . . . 0.0 111.555 179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -84.87 3.45 37.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.387 179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' GLY . . . . . . . . . . . . . . . 90.57 -12.12 69.43 Favored Glycine 0 C--N 1.332 0.347 0 C-N-CA 120.534 -0.841 . . . . 0.0 112.71 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.8 mtm180 -140.9 157.2 45.71 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.864 0.364 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.469 HG23 ' HG3' ' A' ' 152' ' ' GLU . 59.4 mt -109.11 125.84 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.299 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 153' ' ' PHE . 1.2 p30 -103.39 170.89 7.68 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.692 179.589 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' TYR . . . . . 0.719 ' CE1' HD23 ' A' ' 154' ' ' LEU . 17.4 t80 -60.47 -21.3 62.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.356 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.49 -58.48 3.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.854 0.359 . . . . 0.0 111.083 -179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' GLU . . . . . 0.469 ' HG3' HG23 ' A' ' 148' ' ' ILE . 11.4 pt-20 -74.44 -30.41 61.87 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.859 -179.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 149' ' ' ASP . 0.2 OUTLIER -65.98 -33.2 75.26 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.848 0.356 . . . . 0.0 110.583 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' LEU . . . . . 0.719 HD23 ' CE1' ' A' ' 150' ' ' TYR . 0.2 OUTLIER -50.24 -30.29 11.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.903 179.708 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.4 -25.46 42.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.965 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' PHE . . . . . 0.462 ' CE2' ' HA3' ' A' ' 140' ' ' GLY . 0.1 OUTLIER -58.65 -18.95 34.97 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.175 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -112.24 20.63 16.6 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.766 0.317 . . . . 0.0 110.831 179.602 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.73 15.19 1.1 Allowed 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 -179.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLY . . . . . . . . . . . . . . . 119.74 -7.1 12.24 Favored Glycine 0 C--N 1.333 0.41 0 C-N-CA 120.25 -0.976 . . . . 0.0 113.652 178.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' VAL . . . . . 0.45 HG23 ' N ' ' A' ' 161' ' ' GLU . 35.7 m -46.51 -42.55 5.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 117.114 0.457 . . . . 0.0 111.433 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.45 ' N ' HG23 ' A' ' 160' ' ' VAL . 2.0 mt-10 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' ' MG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_